Molecule:100991: Difference between revisions
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molecule
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|trivialname= | |trivialname= | ||
|abbrev= | |abbrev= | ||
|molecularFormula= | |molecularFormula= | ||
|molecularMass= | |molecularMass= | ||
|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |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 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS | M V30 COUNTS 78 90 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C -3.79376 2.14341 0.0 0 | M V30 1 C -3.79376 2.14341 0.0 0 | ||
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M V30 15 C -4.78962 0.583363 0.0 0 | M V30 15 C -4.78962 0.583363 0.0 0 | ||
M V30 16 C -4.78962 -0.583363 0.0 0 | M V30 16 C -4.78962 -0.583363 0.0 0 | ||
M V30 17 Cu | M V30 17 Cu 0.68774 -0.185058 0.0 0 CHG=1 | ||
M V30 18 C 2.74227 1.50444 0.0 0 | M V30 18 C 2.74227 1.50444 0.0 0 | ||
M V30 19 N 2.74227 0.679442 0.0 0 | M V30 19 N 2.74227 0.679442 0.0 0 | ||
| Line 85: | Line 85: | ||
M V30 70 C 0.18041 1.42705 0.0 0 | M V30 70 C 0.18041 1.42705 0.0 0 | ||
M V30 71 C 1.04325 1.93268 0.0 0 | 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 8. | M V30 73 F 8.08382 1.01593 0.0 0 | ||
M V30 74 F 8. | 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 7.05 1.06603 0.0 0 | |||
M V30 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 151: | Line 144: | ||
M V30 49 1 18 44 | M V30 49 1 18 44 | ||
M V30 50 1 29 45 | 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 5 46 | M V30 53 1 5 46 | ||
M V30 54 1 14 47 | M V30 54 1 14 47 | ||
| Line 191: | Line 184: | ||
M V30 89 1 72 77 | M V30 89 1 72 77 | ||
M V30 90 1 72 78 | M V30 90 1 72 78 | ||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|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 | |||
|smiles=C1C=C2P(~[Cu+ | |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. | |inchikey=CSSGIEBQRQRBLV-UHFFFAOYSA-P | ||
|inchikey= | |width=200 | ||
|width= | |height=200 | ||
|height= | |||
|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 |
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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 | |
