C163H106N12O4Pt4-4 — CID 158216815
3-[6-(3-cinnolin-3-ylbenzene-2-id-1-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]anthracen-2-ol;1-[6-(3-cinnolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]pyren-2-ol;3-[6-[3-cinnolin-3-yl-5-(4-methylphenyl)benzene-2-id-1-yl]-2-pyridinyl]anthracen-2-ol;3-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-(3,5-dimethylphenyl)-2-pyridinyl]anthracen-2-ol;platinum (PubChem CID 158216815) has the molecular formula C163H106N12O4Pt4-4 and a molecular weight of 3077.03 g/mol. Its IUPAC name is 3-[6-(3-cinnolin-3-ylbenzene-2-id-1-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]anthracen-2-ol;1-[6-(3-cinnolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]pyren-2-ol;3-[6-[3-cinnolin-3-yl-5-(4-methylphenyl)benzene-2-id-1-yl]-2-pyridinyl]anthracen-2-ol;3-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-(3,5-dimethylphenyl)-2-pyridinyl]anthracen-2-ol;platinum.
| Compound Name | 3-[6-(3-cinnolin-3-ylbenzene-2-id-1-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]anthracen-2-ol;1-[6-(3-cinnolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]pyren-2-ol;3-[6-[3-cinnolin-3-yl-5-(4-methylphenyl)benzene-2-id-1-yl]-2-pyridinyl]anthracen-2-ol;3-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-(3,5-dimethylphenyl)-2-pyridinyl]anthracen-2-ol;platinum |
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| PubChem CID | 158216815 |
| Molecular Formula | C163H106N12O4Pt4-4 |
| Molecular Weight | 3077.03 g/mol |
| Exact Mass | 3074.71 |
| IUPAC Name | 3-[6-(3-cinnolin-3-ylbenzene-2-id-1-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]anthracen-2-ol;1-[6-(3-cinnolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]pyren-2-ol;3-[6-[3-cinnolin-3-yl-5-(4-methylphenyl)benzene-2-id-1-yl]-2-pyridinyl]anthracen-2-ol;3-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-(3,5-dimethylphenyl)-2-pyridinyl]anthracen-2-ol;platinum |
| SMILES | Cc1cc(C)cc(-c2cc(-c3[c-]c(-c4cc5ccccc5nn4)cc(-c4ccccc4)c3)nc(-c3cc4cc5ccccc5cc4cc3O)c2)c1.Cc1ccc(-c2cc(-c3cc4ccccc4nn3)[c-]c(-c3cccc(-c4cc5cc6ccccc6cc5cc4O)n3)c2)cc1.Cc1cccc(C)c1-c1cc(-c2[c-]c(-c3cc4ccccc4nn3)ccc2)nc(-c2cc3cc4ccccc4cc3cc2O)c1.Oc1cc2ccc3cccc4ccc(c1-c1cccc(-c5[c-]c(-c6cc7ccccc7nn6)ccc5)n1)c2c34.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C47H32N3O.C41H28N3O.C40H26N3O.C35H20N3O.4Pt/c1-29-16-30(2)18-35(17-29)39-26-44(48-46(27-39)42-24-37-19-32-12-6-7-13-33(32)20-38(37)28-47(42)51)40-21-36(31-10-4-3-5-11-31)22-41(23-40)45-25-34-14-8-9-15-43(34)49-50-45;1-25-9-7-10-26(2)41(25)34-22-37(29-14-8-15-30(19-29)38-21-31-13-5-6-16-36(31)43-44-38)42-39(23-34)35-20-32-17-27-11-3-4-12-28(27)18-33(32)24-40(35)45;1-25-13-15-26(16-14-25)30-19-33(21-34(20-30)39-23-29-9-4-5-10-37(29)42-43-39)36-11-6-12-38(41-36)35-22-31-17-27-7-2-3-8-28(27)18-32(31)24-40(35)44;39-32-20-26-15-14-21-7-3-8-22-16-17-27(34(26)33(21)22)35(32)30-13-5-12-28(36-30)23-9-4-10-24(18-23)31-19-25-6-1-2-11-29(25)37-38-31;;;;/h3-22,24-28,51H,1-2H3;3-18,20-24,45H,1-2H3;2-20,22-24,44H,1H3;1-17,19-20,39H;;;;/q4*-1;;;; |
| InChIKey | CRKQQJJCNHUQSO-UHFFFAOYSA-N |
| XLogP | 40.14 |
| TPSA | 235.60 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3077.03 |
| LogP ≤ 5 | 40.14 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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