C105H66N12Pt3S3 — CID 157291608
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) (PubChem CID 157291608) has the molecular formula C105H66N12Pt3S3 and a molecular weight of 2177.20 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)).
| Compound Name | 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) |
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| PubChem CID | 157291608 |
| Molecular Formula | C105H66N12Pt3S3 |
| Molecular Weight | 2177.20 g/mol |
| Exact Mass | 2175.36 |
| IUPAC Name | 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) |
| SMILES | Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)cc(-c3ccsc3)c2)nc2ccccc21.Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2c(-c3ccsc3)cccc21.Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2-c2ccsc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/3C35H22N4S.3Pt/c1-38-32-12-5-3-10-30(32)37-35(38)24-14-16-28-27-8-2-4-11-31(27)39(34(28)21-24)33-20-23(29-9-6-7-18-36-29)13-15-26(33)25-17-19-40-22-25;1-38-33-12-5-3-10-31(33)37-35(38)23-13-14-29-28-8-2-4-11-32(28)39(34(29)21-23)27-19-25(24-15-17-40-22-24)18-26(20-27)30-9-6-7-16-36-30;1-38-32-14-7-11-27(25-17-19-40-22-25)34(32)37-35(38)24-15-16-29-28-10-2-3-13-31(28)39(33(29)21-24)26-9-6-8-23(20-26)30-12-4-5-18-36-30;;;/h3*2-19,22H,1H3;;;/q3*-2;3*+2 |
| InChIKey | QBKJJHTZOUZMDP-UHFFFAOYSA-N |
| XLogP | 26.18 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 123 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2177.20 |
| LogP ≤ 5 | 26.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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