C140H91N19O10Pt5S2 — CID 159127175
2-[2-(2-hydroxyphenyl)-4,7-diphenyl-7H-pyrrolo[3,2-h]quinazolin-8-yl]phenol;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-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;4-[2-(3-hydroxy-4-pyridinyl)pyrimido[5,4-h]quinazolin-9-yl]pyridin-3-ol;platinum (PubChem CID 159127175) has the molecular formula C140H91N19O10Pt5S2 and a molecular weight of 3238.91 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-4,7-diphenyl-7H-pyrrolo[3,2-h]quinazolin-8-yl]phenol;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-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;4-[2-(3-hydroxy-4-pyridinyl)pyrimido[5,4-h]quinazolin-9-yl]pyridin-3-ol;platinum.
| Compound Name | 2-[2-(2-hydroxyphenyl)-4,7-diphenyl-7H-pyrrolo[3,2-h]quinazolin-8-yl]phenol;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-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;4-[2-(3-hydroxy-4-pyridinyl)pyrimido[5,4-h]quinazolin-9-yl]pyridin-3-ol;platinum |
|---|---|
| PubChem CID | 159127175 |
| Molecular Formula | C140H91N19O10Pt5S2 |
| Molecular Weight | 3238.91 g/mol |
| Exact Mass | 3236.49 |
| IUPAC Name | 2-[2-(2-hydroxyphenyl)-4,7-diphenyl-7H-pyrrolo[3,2-h]quinazolin-8-yl]phenol;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-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;4-[2-(3-hydroxy-4-pyridinyl)pyrimido[5,4-h]quinazolin-9-yl]pyridin-3-ol;platinum |
| SMILES | Oc1ccccc1C1=Nc2c(ccc3c(-c4ccccc4)nc(-c4ccccc4O)nc23)C1c1ccccc1.Oc1cccnc1-c1ccc2ccc3ccc(-c4ncccc4O)nc3c2n1.Oc1cnccc1-c1cccc(-c2cccc(-c3ccncc3O)n2)n1.Oc1cnccc1-c1ncc2ccc3cnc(-c4ccncc4O)nc3c2n1.Oc1sc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)sc4O)nc3c2n1.[Pt].[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C44H28N2O2S2.C34H23N3O2.C22H14N4O2.C20H12N6O2.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;38-27-17-9-7-15-23(27)31-29(21-11-3-1-4-12-21)25-19-20-26-30(22-13-5-2-6-14-22)36-34(37-33(26)32(25)35-31)24-16-8-10-18-28(24)39;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;27-15-9-21-5-3-13(15)19-23-7-11-1-2-12-8-24-20(26-18(12)17(11)25-19)14-4-6-22-10-16(14)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;;;;;/h1-26,47-48H;1-20,29,38-39H;1-12,27-28H;1-10,27-28H;1-12,25-26H;;;;; |
| InChIKey | IUDXCUWNDMDALS-UHFFFAOYSA-N |
| XLogP | 31.05 |
| TPSA | 446.68 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3238.91 |
| LogP ≤ 5 | 31.05 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|