Molecule:100991: Difference between revisions
From ChemWiki
molecule
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|moleculeKey=CSSGIEBQRQRBLV-UHFFFAOYSA-P | |moleculeKey=CSSGIEBQRQRBLV-UHFFFAOYSA-P | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-12162417082D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 14: | Line 14: | ||
M V30 COUNTS 78 90 0 0 0 | M V30 COUNTS 78 90 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C | M V30 1 C -3.79376 2.14341 0.0 0 | ||
M V30 2 C | M V30 2 C -4.20626 1.42894 0.0 0 | ||
M V30 3 C 3. | M V30 3 C -3.79376 0.714471 0.0 0 | ||
M V30 4 | M V30 4 C -2.96876 0.714471 0.0 0 | ||
M V30 5 | M V30 5 C -2.55626 1.42894 0.0 0 | ||
M V30 6 | M V30 6 C -2.96876 2.14341 0.0 0 | ||
M V30 7 C | M V30 7 C -4.20626 0.0 0.0 0 | ||
M V30 8 C | M V30 8 C -3.79376 -0.714471 0.0 0 | ||
M V30 9 C | M V30 9 C -2.96876 -0.714471 0.0 0 | ||
M V30 10 | M V30 10 O -2.55626 0.0 0.0 0 | ||
M V30 11 C | M V30 11 C -4.20626 -1.42894 0.0 0 | ||
M V30 12 C | M V30 12 C -3.79376 -2.14341 0.0 0 | ||
M V30 13 C | M V30 13 C -2.96876 -2.14341 0.0 0 | ||
M V30 14 C | M V30 14 C -2.55626 -1.42894 0.0 0 | ||
M V30 15 C | M V30 15 C -4.78962 0.583363 0.0 0 | ||
M V30 16 C | M V30 16 C -4.78962 -0.583363 0.0 0 | ||
M V30 17 | M V30 17 Cu 0.68774 -0.185058 0.0 0 CHG=1 | ||
M V30 18 C | M V30 18 C 2.74227 1.50444 0.0 0 | ||
M V30 19 | M V30 19 N 2.74227 0.679442 0.0 0 | ||
M V30 20 C | M V30 20 C 3.45674 0.266942 0.0 0 | ||
M V30 21 | M V30 21 C 4.17121 0.679442 0.0 0 | ||
M V30 22 C | M V30 22 C 4.17121 1.50444 0.0 0 | ||
M V30 23 C 1. | M V30 23 C 3.45674 1.91694 0.0 0 | ||
M V30 24 C 0. | M V30 24 C 3.45674 -0.558058 0.0 0 | ||
M V30 25 C 0. | M V30 25 C 4.17121 -0.970558 0.0 0 | ||
M V30 26 C | M V30 26 C 4.88568 -0.558058 0.0 0 | ||
M V30 27 C | M V30 27 C 4.88568 0.266942 0.0 0 | ||
M V30 28 | M V30 28 N 2.74227 -0.970558 0.0 0 | ||
M V30 29 C | M V30 29 C 2.74227 -1.79556 0.0 0 | ||
M V30 30 C | M V30 30 C 3.45674 -2.20806 0.0 0 | ||
M V30 31 C 1. | M V30 31 C 4.17121 -1.79556 0.0 0 | ||
M V30 32 | M V30 32 C 4.88568 1.91694 0.0 0 | ||
M V30 33 C | M V30 33 C 4.88568 -2.20806 0.0 0 | ||
M V30 34 C | M V30 34 C 5.60015 1.50444 0.0 0 | ||
M V30 35 C | M V30 35 C 6.31462 1.91694 0.0 0 | ||
M V30 36 C 6. | M V30 36 C 6.31462 2.74194 0.0 0 | ||
M V30 37 C | M V30 37 C 5.60015 3.15444 0.0 0 | ||
M V30 38 C | M V30 38 C 4.88568 2.74194 0.0 0 | ||
M V30 39 C | M V30 39 C 4.88568 -3.03306 0.0 0 | ||
M V30 40 C | M V30 40 C 5.60015 -3.44556 0.0 0 | ||
M V30 41 C | M V30 41 C 6.31462 -3.03306 0.0 0 | ||
M V30 42 C | M V30 42 C 6.31462 -2.20806 0.0 0 | ||
M V30 43 C | M V30 43 C 5.60015 -1.79556 0.0 0 | ||
M V30 44 C | M V30 44 C 2.0278 1.91694 0.0 0 | ||
M V30 45 C | M V30 45 C 2.0278 -2.20806 0.0 0 | ||
M V30 46 | M V30 46 P -1.55626 1.42894 0.0 0 | ||
M V30 47 | M V30 47 P -1.55626 -1.42894 0.0 0 | ||
M V30 48 C | M V30 48 C -1.81508 -2.39487 0.0 0 | ||
M V30 49 C | M V30 49 C -1.36565 -4.06578 0.0 0 | ||
M V30 50 C | M V30 50 C -1.1072 -3.10221 0.0 0 | ||
M V30 51 C | M V30 51 C -2.33232 -4.3255 0.0 0 | ||
M V30 52 C | M V30 52 C -2.78561 -2.65562 0.0 0 | ||
M V30 53 C | M V30 53 C -3.0382 -3.62327 0.0 0 | ||
M V30 54 C | M V30 54 C -0.690235 -1.92894 0.0 0 | ||
M V30 55 C | M V30 55 C 1.04007 -1.9273 0.0 0 | ||
M V30 56 C | M V30 56 C 0.176218 -1.42825 0.0 0 | ||
M V30 57 | M V30 57 C 1.04074 -2.92824 0.0 0 | ||
M V30 58 C | M V30 58 C -0.689561 -2.93389 0.0 0 | ||
M V30 59 C | M V30 59 C 0.179743 -3.42832 0.0 0 | ||
M V30 60 C | M V30 60 C -1.81508 2.39487 0.0 0 | ||
M V30 61 C | M V30 61 C -3.03975 3.61721 0.0 0 | ||
M V30 62 C | M V30 62 C -2.78179 2.6535 0.0 0 | ||
M V30 63 C | M V30 63 C -2.33245 4.32546 0.0 0 | ||
M V30 64 C | M V30 64 C -1.10495 3.10595 0.0 0 | ||
M V30 65 C | M V30 65 C -1.37003 4.07025 0.0 0 | ||
M V30 66 C | M V30 66 C -0.690235 1.92894 0.0 0 | ||
M V30 67 C | M V30 67 C 0.173491 3.42825 0.0 0 | ||
M V30 68 C | M V30 68 C -0.690617 2.92966 0.0 0 | ||
M V30 69 C | M V30 69 C 1.04067 2.92836 0.0 0 | ||
M V30 70 C | M V30 70 C 0.18041 1.42705 0.0 0 | ||
M V30 71 C | M V30 71 C 1.04325 1.93268 0.0 0 | ||
M V30 72 P | M V30 72 P 7.55 0.2 0.0 0 CHG=-1 | ||
M V30 73 F | M V30 73 F 8.08382 1.01593 0.0 0 | ||
M V30 74 F | M V30 74 F 8.51593 -0.058819 0.0 0 | ||
M V30 75 F | M V30 75 F 7.80882 -0.765926 0.0 0 | ||
M V30 76 F | M V30 76 F 6.84289 -0.507107 0.0 0 | ||
M V30 77 F | M V30 77 F 6.55 0.2 0.0 0 | ||
M V30 78 F | M V30 78 F 7.05 1.06603 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 | M V30 1 2 1 2 | ||
M V30 2 | M V30 2 1 2 3 | ||
M V30 3 | M V30 3 2 3 4 | ||
M V30 4 | M V30 4 1 4 5 | ||
M V30 5 | M V30 5 2 5 6 | ||
M V30 6 1 6 | M V30 6 1 6 1 | ||
M V30 7 1 7 | M V30 7 1 3 7 | ||
M V30 8 2 8 9 | M V30 8 2 8 9 | ||
M V30 9 1 | M V30 9 1 10 4 | ||
M V30 10 | M V30 10 1 8 11 | ||
M V30 11 | M V30 11 2 11 12 | ||
M V30 12 | M V30 12 1 12 13 | ||
M V30 13 | M V30 13 2 13 14 | ||
M V30 14 1 | M V30 14 1 14 9 | ||
M V30 15 | M V30 15 1 7 8 | ||
M V30 16 1 | M V30 16 1 10 9 | ||
M V30 17 | M V30 17 1 7 15 | ||
M V30 18 1 | M V30 18 1 7 16 | ||
M V30 19 2 18 | M V30 19 2 18 19 | ||
M V30 20 1 | M V30 20 1 19 20 | ||
M V30 21 | M V30 21 2 20 21 | ||
M V30 22 1 | M V30 22 1 21 22 | ||
M V30 23 | M V30 23 2 22 23 | ||
M V30 24 1 | M V30 24 1 23 18 | ||
M V30 25 | M V30 25 1 20 24 | ||
M V30 26 | M V30 26 2 24 25 | ||
M V30 27 1 | M V30 27 1 25 26 | ||
M V30 28 | M V30 28 2 26 27 | ||
M V30 29 1 | M V30 29 1 27 21 | ||
M V30 30 | M V30 30 1 24 28 | ||
M V30 31 | M V30 31 2 28 29 | ||
M V30 32 | M V30 32 1 29 30 | ||
M V30 33 | M V30 33 2 30 31 | ||
M V30 34 | M V30 34 1 31 25 | ||
M V30 35 1 | M V30 35 1 22 32 | ||
M V30 36 | M V30 36 1 31 33 | ||
M V30 37 | M V30 37 2 32 34 | ||
M V30 38 | M V30 38 1 34 35 | ||
M V30 39 | M V30 39 2 35 36 | ||
M V30 40 1 | M V30 40 1 36 37 | ||
M V30 41 2 | M V30 41 2 37 38 | ||
M V30 42 1 | M V30 42 1 38 32 | ||
M V30 43 | M V30 43 2 33 39 | ||
M V30 44 | M V30 44 1 39 40 | ||
M V30 45 | M V30 45 2 40 41 | ||
M V30 46 | M V30 46 1 41 42 | ||
M V30 47 | M V30 47 2 42 43 | ||
M V30 48 | M V30 48 1 43 33 | ||
M V30 49 1 | M V30 49 1 18 44 | ||
M V30 50 1 | M V30 50 1 29 45 | ||
M V30 51 | M V30 51 8 17 19 | ||
M V30 52 | M V30 52 8 17 28 | ||
M V30 53 1 46 | M V30 53 1 5 46 | ||
M V30 54 1 47 | M V30 54 1 14 47 | ||
M V30 55 1 48 | M V30 55 1 47 48 | ||
M V30 56 2 | M V30 56 2 50 48 | ||
M V30 57 | M V30 57 2 51 49 | ||
M V30 58 | M V30 58 1 48 52 | ||
M V30 59 1 | M V30 59 1 49 50 | ||
M V30 60 2 53 | M V30 60 2 52 53 | ||
M V30 61 | M V30 61 1 53 51 | ||
M V30 62 1 54 | M V30 62 1 47 54 | ||
M V30 63 | M V30 63 2 56 54 | ||
M V30 64 2 55 | M V30 64 2 57 55 | ||
M V30 65 | M V30 65 1 54 58 | ||
M V30 66 1 | M V30 66 1 55 56 | ||
M V30 67 2 58 | M V30 67 2 58 59 | ||
M V30 68 1 | M V30 68 1 59 57 | ||
M V30 69 | M V30 69 1 46 60 | ||
M V30 70 | M V30 70 2 62 60 | ||
M V30 71 | M V30 71 2 63 61 | ||
M V30 72 1 60 | M V30 72 1 60 64 | ||
M V30 73 | M V30 73 1 61 62 | ||
M V30 74 | M V30 74 2 64 65 | ||
M V30 75 | M V30 75 1 65 63 | ||
M V30 76 1 | M V30 76 1 46 66 | ||
M V30 77 2 | M V30 77 2 68 66 | ||
M V30 78 | M V30 78 2 69 67 | ||
M V30 79 1 66 | M V30 79 1 66 70 | ||
M V30 80 | M V30 80 1 67 68 | ||
M V30 81 | M V30 81 2 70 71 | ||
M V30 82 | M V30 82 1 71 69 | ||
M V30 83 | M V30 83 8 46 17 | ||
M V30 84 | M V30 84 8 47 17 | ||
M V30 85 1 72 73 | M V30 85 1 72 73 | ||
M V30 86 1 72 74 | M V30 86 1 72 74 | ||
| Line 187: | Line 187: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |smiles=C1C=C2P(~[Cu+](~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C4OC2=C(C(C)(C)C=4C=CC=3)C=1)1~N2=C(C)C=C(C3C=CC=CC=3)C3C=CC4C(C5C=CC=CC=5)=CC(C)=N~1C=4C=32)(C1C=CC=CC=1)C1C=CC=CC=1.[P-](F)(F)(F)(F)(F)F | ||
|inchi=1S/C39H32OP2.C26H20N2.Cu.F6P/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;;1-7(2,3,4,5)6/h3-28H,1-2H3;3-16H,1-2H3;;/q;;2*-1/p+2 | |inchi=1S/C39H32OP2.C26H20N2.Cu.F6P/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;;1-7(2,3,4,5)6/h3-28H,1-2H3;3-16H,1-2H3;;/q;;2*-1/p+2 | ||
|inchikey=CSSGIEBQRQRBLV-UHFFFAOYSA-P | |inchikey=CSSGIEBQRQRBLV-UHFFFAOYSA-P | ||
|width= | |width=200 | ||
|height= | |height=200 | ||
|float=none | |float=none | ||
|parent= | |parent= | ||
}} | }} | ||
Latest revision as of 11:41, 21 November 2025
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | n/a |
| Molecular formula | n/a |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
Click here to copy MOL-file.
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Molecule is used on following pages
publication
- An earth-abundant system for light-driven CO2 reduction to CO using a pyridinophane iron catalyst
- Efficient Visible-Light-Driven Carbon Dioxide Reduction using a Bioinspired Nickel Molecular Catalyst
investigation
Molecule roles
| Investigation type | Photosensitizer |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments | ![]() |
| Absorption Emission Spectroscopy experiments | ![]() |
| Ultraviolett Visuell experiments | ![]() |


