C145H94Cl6N16O4Pt6S2 — CID 157090541
2-(1H-benzimidazol-2-yl)-6,10-dihydro-5H-benzo[h]quinolin-10-ide;hexakis(chloroplatinum(1+));N,N-diphenyl-2-pyridin-2-yl-10H-1,7-phenanthrolin-10-id-8-amine;methyl 9-(3H-1-benzofuran-3-id-2-yl)-1,10-phenanthroline-2-carboxylate;6-[6-(4-methylsulfanylbenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridine-2-carboxamide;2-(9-phenyl-10H-benzo[h]quinolin-10-id-2-yl)-1,3-benzothiazole;9-phenyl-2-phenyl-1,10-phenanthroline (PubChem CID 157090541) has the molecular formula C145H94Cl6N16O4Pt6S2 and a molecular weight of 3571.77 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6,10-dihydro-5H-benzo[h]quinolin-10-ide;hexakis(chloroplatinum(1+));N,N-diphenyl-2-pyridin-2-yl-10H-1,7-phenanthrolin-10-id-8-amine;methyl 9-(3H-1-benzofuran-3-id-2-yl)-1,10-phenanthroline-2-carboxylate;6-[6-(4-methylsulfanylbenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridine-2-carboxamide;2-(9-phenyl-10H-benzo[h]quinolin-10-id-2-yl)-1,3-benzothiazole;9-phenyl-2-phenyl-1,10-phenanthroline.
| Compound Name | 2-(1H-benzimidazol-2-yl)-6,10-dihydro-5H-benzo[h]quinolin-10-ide;hexakis(chloroplatinum(1+));N,N-diphenyl-2-pyridin-2-yl-10H-1,7-phenanthrolin-10-id-8-amine;methyl 9-(3H-1-benzofuran-3-id-2-yl)-1,10-phenanthroline-2-carboxylate;6-[6-(4-methylsulfanylbenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridine-2-carboxamide;2-(9-phenyl-10H-benzo[h]quinolin-10-id-2-yl)-1,3-benzothiazole;9-phenyl-2-phenyl-1,10-phenanthroline |
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| PubChem CID | 157090541 |
| Molecular Formula | C145H94Cl6N16O4Pt6S2 |
| Molecular Weight | 3571.77 g/mol |
| Exact Mass | 3566.31 |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)-6,10-dihydro-5H-benzo[h]quinolin-10-ide;hexakis(chloroplatinum(1+));N,N-diphenyl-2-pyridin-2-yl-10H-1,7-phenanthrolin-10-id-8-amine;methyl 9-(3H-1-benzofuran-3-id-2-yl)-1,10-phenanthroline-2-carboxylate;6-[6-(4-methylsulfanylbenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridine-2-carboxamide;2-(9-phenyl-10H-benzo[h]quinolin-10-id-2-yl)-1,3-benzothiazole;9-phenyl-2-phenyl-1,10-phenanthroline |
| SMILES | COC(=O)c1ccc2ccc3ccc(-c4[c-]c5ccccc5o4)nc3c2n1.CSc1c[c-]c(-c2cccc(-c3cccc(C(=O)Nc4ccccc4)n3)n2)cc1.Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].[c-]1c(-c2ccccc2)ccc2ccc3ccc(-c4nc5ccccc5s4)nc3c12.[c-]1cc(N(c2ccccc2)c2ccccc2)nc2ccc3ccc(-c4ccccn4)nc3c12.[c-]1cccc2c1-c1nc(-c3nc4ccccc4[nH]3)ccc1CC2.[c-]1ccccc1-c1ccc2ccc3ccc(-c4ccccc4)nc3c2n1 |
| InChI | InChI=1S/C29H19N4.C26H15N2S.C24H18N3OS.C24H15N2.C22H13N2O3.C20H14N3.6ClH.6Pt/c1-3-9-22(10-4-1)33(23-11-5-2-6-12-23)28-19-16-24-25(31-28)17-14-21-15-18-27(32-29(21)24)26-13-7-8-20-30-26;1-2-6-17(7-3-1)20-13-11-18-10-12-19-14-15-23(27-25(19)21(18)16-20)26-28-22-8-4-5-9-24(22)29-26;1-29-19-15-13-17(14-16-19)20-9-5-10-21(26-20)22-11-6-12-23(27-22)24(28)25-18-7-3-2-4-8-18;1-3-7-17(8-4-1)21-15-13-19-11-12-20-14-16-22(18-9-5-2-6-10-18)26-24(20)23(19)25-21;1-26-22(25)17-11-9-14-7-6-13-8-10-16(23-20(13)21(14)24-17)19-12-15-4-2-3-5-18(15)27-19;1-2-6-15-13(5-1)9-10-14-11-12-18(21-19(14)15)20-22-16-7-3-4-8-17(16)23-20;;;;;;;;;;;;/h1-15,17-20H;1-15H;2-13,15-16H,1H3,(H,25,28);1-9,11-16H;2-11H,1H3;1-5,7-8,11-12H,9-10H2,(H,22,23);6*1H;;;;;;/q6*-1;;;;;;;6*+2/p-6 |
| InChIKey | KOBOAJKHGVSUBJ-UHFFFAOYSA-H |
| XLogP | 38.84 |
| TPSA | 255.14 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3571.77 |
| LogP ≤ 5 | 38.84 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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