C152H98N16O10Pt5S4 — CID 160810686
2-[9-(3-hydroxy-5-phenylthiophen-2-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-3-ol;3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;2-[9-(3-hydroxy-2-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[9-(3-hydroxy-4-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;platinum (PubChem CID 160810686) has the molecular formula C152H98N16O10Pt5S4 and a molecular weight of 3412.22 g/mol. Its IUPAC name is 2-[9-(3-hydroxy-5-phenylthiophen-2-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-3-ol;3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;2-[9-(3-hydroxy-2-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[9-(3-hydroxy-4-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;platinum.
| Compound Name | 2-[9-(3-hydroxy-5-phenylthiophen-2-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-3-ol;3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;2-[9-(3-hydroxy-2-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[9-(3-hydroxy-4-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;platinum |
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| PubChem CID | 160810686 |
| Molecular Formula | C152H98N16O10Pt5S4 |
| Molecular Weight | 3412.22 g/mol |
| Exact Mass | 3409.48 |
| IUPAC Name | 2-[9-(3-hydroxy-5-phenylthiophen-2-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-3-ol;3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;2-[9-(3-hydroxy-2-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[9-(3-hydroxy-4-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;platinum |
| SMILES | Oc1cc(-c2ccccc2)sc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4sc(-c5ccccc5)cc4O)nc3c2n1.Oc1cccnc1-c1ccc2ccc3ccc(-c4ncccc4O)nc3c2n1.Oc1cnccc1-c1ccc2ccc3ccc(-c4ccncc4O)nc3c2n1.Oc1cnccc1-c1cccc(-c2cccc(-c3ccncc3O)n2)n1.Oc1sc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)sc4O)nc3c2n1.[Pt].[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/2C44H28N2O2S2.2C22H14N4O2.C20H14N4O2.5Pt/c47-43-35(25-39(49-43)29-17-9-3-10-18-29)37-23-33(27-13-5-1-6-14-27)31-21-22-32-34(28-15-7-2-8-16-28)24-38(46-42(32)41(31)45-37)36-26-40(50-44(36)48)30-19-11-4-12-20-30;47-37-25-39(29-17-9-3-10-18-29)49-43(37)35-23-33(27-13-5-1-6-14-27)31-21-22-32-34(28-15-7-2-8-16-28)24-36(46-42(32)41(31)45-35)44-38(48)26-40(50-44)30-19-11-4-12-20-30;27-17-3-1-11-23-21(17)15-9-7-13-5-6-14-8-10-16(26-20(14)19(13)25-15)22-18(28)4-2-12-24-22;27-19-11-23-9-7-15(19)17-5-3-13-1-2-14-4-6-18(26-22(14)21(13)25-17)16-8-10-24-12-20(16)28;25-19-11-21-9-7-13(19)15-3-1-5-17(23-15)18-6-2-4-16(24-18)14-8-10-22-12-20(14)26;;;;;/h2*1-26,47-48H;2*1-12,27-28H;1-12,25-26H;;;;; |
| InChIKey | NZOUSHCIVVDNRD-UHFFFAOYSA-N |
| XLogP | 36.94 |
| TPSA | 408.54 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 187 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3412.22 |
| LogP ≤ 5 | 36.94 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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