Molecule:100991: Difference between revisions
From ChemWiki
molecule
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|moleculeKey=CSSGIEBQRQRBLV-UHFFFAOYSA-P | |moleculeKey=CSSGIEBQRQRBLV-UHFFFAOYSA-P | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-02102515422D | ||
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 1.92602 7.93157 0.0 0 | ||
M V30 2 C | M V30 2 C 2.88956 7.71369 0.0 0 | ||
M V30 3 C | M V30 3 C 3.18264 6.77029 0.0 0 | ||
M V30 4 | M V30 4 P 4.15469 5.87769 0.0 0 | ||
M V30 5 | M V30 5 Cu 4.30912 4.7833 0.0 0 CHG=1 | ||
M V30 6 | M V30 6 P 3.67764 3.85349 0.0 0 | ||
M V30 7 C | M V30 7 C 3.5234 2.87774 0.0 0 | ||
M V30 8 C | M V30 8 C 4.29131 2.25628 0.0 0 | ||
M V30 9 C | M V30 9 C 4.13707 1.28052 0.0 0 | ||
M V30 10 | M V30 10 C 3.21492 0.92622 0.0 0 | ||
M V30 11 C | M V30 11 C 2.44701 1.54767 0.0 0 | ||
M V30 12 C | M V30 12 C 2.60125 2.52343 0.0 0 | ||
M V30 13 C | M V30 13 C 4.62442 3.57156 0.0 0 | ||
M V30 14 C | M V30 14 C 4.85366 2.61065 0.0 0 | ||
M V30 15 C | M V30 15 C 5.80044 2.32872 0.0 0 | ||
M V30 16 C | M V30 16 C 6.518 3.00769 0.0 0 | ||
M V30 17 | M V30 17 C 6.28876 3.9686 0.0 0 | ||
M V30 18 C | M V30 18 C 5.34198 4.25053 0.0 0 | ||
M V30 19 | M V30 19 C 2.42788 3.43247 0.0 0 | ||
M V30 20 C | M V30 20 C 2.1348 4.37587 0.0 0 | ||
M V30 21 | M V30 21 O 2.80526 5.10138 0.0 0 | ||
M V30 22 C | M V30 22 C 2.51218 6.04478 0.0 0 | ||
M V30 23 C | M V30 23 C 1.54863 6.26266 0.0 0 | ||
M V30 24 C | M V30 24 C 0.87817 5.53715 0.0 0 | ||
M V30 25 C | M V30 25 C 0.280104 6.32341 0.0 0 | ||
M V30 26 C | M V30 26 C 0.0 5.0847 0.0 0 | ||
M V30 27 C 4. | M V30 27 C 1.17125 4.59375 0.0 0 | ||
M V30 28 | M V30 28 C 0.500787 3.86824 0.0 0 | ||
M V30 29 C 2. | M V30 29 C 0.793867 2.92484 0.0 0 | ||
M V30 30 C | M V30 30 C 1.75741 2.70696 0.0 0 | ||
M V30 31 C | M V30 31 C 1.25555 7.20606 0.0 0 | ||
M V30 32 | M V30 32 N 5.05552 5.43043 0.0 0 | ||
M V30 33 C | M V30 33 C 5.07406 6.41813 0.0 0 | ||
M V30 34 C | M V30 34 C 4.22796 6.92803 0.0 0 | ||
M V30 35 C 6. | M V30 35 C 5.9387 6.89592 0.0 0 | ||
M V30 36 C 6. | M V30 36 C 6.7848 6.38602 0.0 0 | ||
M V30 37 C | M V30 37 C 7.64944 6.86381 0.0 0 | ||
M V30 38 C | M V30 38 C 7.66798 7.85151 0.0 0 | ||
M V30 39 C | M V30 39 C 8.53262 8.32931 0.0 0 | ||
M V30 40 C | M V30 40 C 9.37872 7.81941 0.0 0 | ||
M V30 41 C 6. | M V30 41 C 9.36019 6.83171 0.0 0 | ||
M V30 42 C 6. | M V30 42 C 8.49555 6.35391 0.0 0 | ||
M V30 43 C 5. | M V30 43 C 6.76627 5.39832 0.0 0 | ||
M V30 44 C | M V30 44 C 7.55064 4.7468 0.0 0 | ||
M V30 45 C | M V30 45 C 7.42896 3.76645 0.0 0 | ||
M V30 46 | M V30 46 C 6.51911 3.38165 0.0 0 | ||
M V30 47 | M V30 47 C 6.1566 2.40238 0.0 0 | ||
M V30 48 C | M V30 48 C 6.82148 1.67175 0.0 0 | ||
M V30 49 C | M V30 49 C 7.78667 1.88225 0.0 0 | ||
M V30 50 C | M V30 50 C 8.45156 1.15162 0.0 0 | ||
M V30 51 C | M V30 51 C 8.15125 0.210495 0.0 0 | ||
M V30 52 C | M V30 52 C 7.18607 0.0 0.0 0 | ||
M V30 53 C | M V30 53 C 6.52118 0.730628 0.0 0 | ||
M V30 54 C | M V30 54 C 5.20203 2.14804 0.0 0 | ||
M V30 55 C | M V30 55 C 4.50448 2.84755 0.0 0 | ||
M V30 56 C | M V30 56 C 3.62607 2.39555 0.0 0 | ||
M V30 57 | M V30 57 N 4.69392 3.87346 0.0 0 | ||
M V30 58 C | M V30 58 C 5.67814 3.95826 0.0 0 | ||
M V30 59 C | M V30 59 C 5.90163 4.92052 0.0 0 | ||
M V30 60 C | M V30 60 C 4.58303 6.76787 0.0 0 | ||
M V30 61 C | M V30 61 C 4.02628 7.58391 0.0 0 | ||
M V30 62 C | M V30 62 C 4.45462 8.47409 0.0 0 | ||
M V30 63 C | M V30 63 C 5.43971 8.54823 0.0 0 | ||
M V30 64 C | M V30 64 C 5.99646 7.73218 0.0 0 | ||
M V30 65 C | M V30 65 C 5.56811 6.84201 0.0 0 | ||
M V30 66 C | M V30 66 C 5.13085 5.72602 0.0 0 | ||
M V30 67 C | M V30 67 C 5.75028 6.49556 0.0 0 | ||
M V30 68 C | M V30 68 C 6.72644 6.34388 0.0 0 | ||
M V30 69 C | M V30 69 C 7.08316 5.42266 0.0 0 | ||
M V30 70 C | M V30 70 C 6.46373 4.65312 0.0 0 | ||
M V30 71 C | M V30 71 C 5.48757 4.8048 0.0 0 | ||
M V30 72 P | M V30 72 P 12.3423 0.855523 0.0 0 CHG=-1 | ||
M V30 73 F | M V30 73 F 11.3545 0.855523 0.0 0 | ||
M V30 74 F | M V30 74 F 11.8484 0.0 0.0 0 | ||
M V30 75 F | M V30 75 F 11.8484 1.71105 0.0 0 | ||
M V30 76 F | M V30 76 F 12.8363 0.0 0.0 0 | ||
M V30 77 F | M V30 77 F 12.8363 1.71105 0.0 0 | ||
M V30 78 F | M V30 78 F 13.3302 0.855523 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 1 1 2 | ||
M V30 2 | M V30 2 2 2 3 | ||
M V30 3 | M V30 3 1 3 4 | ||
M V30 4 | M V30 4 8 4 5 | ||
M V30 5 | M V30 5 8 5 6 | ||
M V30 6 1 6 | M V30 6 1 6 7 | ||
M V30 7 1 | M V30 7 1 7 8 | ||
M V30 8 2 8 9 | M V30 8 2 8 9 | ||
M V30 9 1 10 | M V30 9 1 9 10 | ||
M V30 10 | M V30 10 2 10 11 | ||
M V30 11 | M V30 11 1 11 12 | ||
M V30 12 | M V30 12 2 12 7 | ||
M V30 13 | M V30 13 1 6 13 | ||
M V30 14 1 14 | M V30 14 1 13 14 | ||
M V30 15 | M V30 15 2 14 15 | ||
M V30 16 1 | M V30 16 1 15 16 | ||
M V30 17 | M V30 17 2 16 17 | ||
M V30 18 1 | M V30 18 1 17 18 | ||
M V30 19 2 18 | M V30 19 2 18 13 | ||
M V30 20 1 19 | M V30 20 1 6 19 | ||
M V30 21 | M V30 21 1 19 20 | ||
M V30 22 1 21 | M V30 22 1 20 21 | ||
M V30 23 | M V30 23 1 21 22 | ||
M V30 24 1 | M V30 24 1 22 3 | ||
M V30 25 | M V30 25 2 22 23 | ||
M V30 26 | M V30 26 1 23 24 | ||
M V30 27 1 25 | M V30 27 1 24 25 | ||
M V30 28 | M V30 28 1 24 26 | ||
M V30 29 1 27 | M V30 29 1 24 27 | ||
M V30 30 1 | M V30 30 2 27 20 | ||
M V30 | M V30 31 1 27 28 | ||
M V30 | M V30 32 2 28 29 | ||
M V30 | M V30 33 1 29 30 | ||
M V30 | M V30 34 2 30 19 | ||
M V30 | M V30 35 1 23 31 | ||
M V30 | M V30 36 2 31 1 | ||
M V30 | M V30 37 8 5 32 | ||
M V30 | M V30 38 2 32 33 | ||
M V30 | M V30 39 1 33 34 | ||
M V30 | M V30 40 1 33 35 | ||
M V30 | M V30 41 2 35 36 | ||
M V30 | M V30 42 1 36 37 | ||
M V30 43 1 37 38 | |||
M V30 | M V30 44 2 38 39 | ||
M V30 | M V30 45 1 39 40 | ||
M V30 | M V30 46 2 40 41 | ||
M V30 | M V30 47 1 41 42 | ||
M V30 | M V30 48 2 42 37 | ||
M V30 | M V30 49 1 36 43 | ||
M V30 | M V30 50 1 43 44 | ||
M V30 51 2 44 45 | |||
M V30 52 | M V30 52 1 45 46 | ||
M V30 53 1 | M V30 53 1 46 47 | ||
M V30 54 1 | M V30 54 1 47 48 | ||
M V30 55 1 | M V30 55 1 48 49 | ||
M V30 56 2 50 | M V30 56 2 49 50 | ||
M V30 57 | M V30 57 1 50 51 | ||
M V30 58 | M V30 58 2 51 52 | ||
M V30 59 1 | M V30 59 1 52 53 | ||
M V30 60 2 | M V30 60 2 53 48 | ||
M V30 61 | M V30 61 2 47 54 | ||
M V30 62 1 | M V30 62 1 54 55 | ||
M V30 63 | M V30 63 1 55 56 | ||
M V30 64 2 57 | M V30 64 2 55 57 | ||
M V30 65 | M V30 65 8 57 5 | ||
M V30 66 1 | M V30 66 1 57 58 | ||
M V30 67 2 58 | M V30 67 2 58 46 | ||
M V30 68 1 59 | M V30 68 1 58 59 | ||
M V30 69 | M V30 69 2 59 43 | ||
M V30 70 | M V30 70 1 59 32 | ||
M V30 71 | M V30 71 1 4 60 | ||
M V30 72 1 60 | M V30 72 1 60 61 | ||
M V30 73 | M V30 73 2 61 62 | ||
M V30 74 | M V30 74 1 62 63 | ||
M V30 75 | M V30 75 2 63 64 | ||
M V30 76 1 | M V30 76 1 64 65 | ||
M V30 77 2 | M V30 77 2 65 60 | ||
M V30 78 | M V30 78 1 4 66 | ||
M V30 79 1 66 | M V30 79 1 66 67 | ||
M V30 80 | M V30 80 2 67 68 | ||
M V30 81 | M V30 81 1 68 69 | ||
M V30 82 | M V30 82 2 69 70 | ||
M V30 83 | M V30 83 1 70 71 | ||
M V30 84 | M V30 84 2 71 66 | ||
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=C1=CC2C(C3C=CC=C4C=3OC=2C(P(C2=CC=CC=C2)(C2=CC=CC=C2)~[Cu+]2(~N3C5C6N~2=C(C=C(C=6C=CC=5C(=CC=3C)C2=CC=CC=C2)C2=CC=CC=C2)C)~P4(C2=CC=CC=C2)C2=CC=CC=C2)=C1)(C)C.[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=300px | ||
|height= | |height=200px | ||
|float=none | |float=none | ||
|parent= | |parent= | ||
}} | }} | ||
Revision as of 15:48, 10 February 2025
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 1146.249265994 |
| Molecular formula | C65H52CuF6N2OP3 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
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 | ![]() |


