C115H90F7Ir4N16O4Pt2-3 — CID 159984741
(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]azanium;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);bis(1-phenylisoquinoline);platinum;platinum(2+) (PubChem CID 159984741) has the molecular formula C115H90F7Ir4N16O4Pt2-3 and a molecular weight of 3052.10 g/mol. Its IUPAC name is (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]azanium;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);bis(1-phenylisoquinoline);platinum;platinum(2+).
| Compound Name | (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]azanium;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);bis(1-phenylisoquinoline);platinum;platinum(2+) |
|---|---|
| PubChem CID | 159984741 |
| Molecular Formula | C115H90F7Ir4N16O4Pt2-3 |
| Molecular Weight | 3052.10 g/mol |
| Exact Mass | 3053.50 |
| IUPAC Name | (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]azanium;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);bis(1-phenylisoquinoline);platinum;platinum(2+) |
| SMILES | CC(=O)C=C(C)O.C[N+](C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.C[N+](C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
| InChI | InChI=1S/C24H19N2.C21H14F5N6.C18H14F2N4O2.C17H15N2.2C15H10N.C5H8O2.4Ir.2Pt/c1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-32(2,18-7-3-5-14(27-18)13-9-10-16(22)28-20(13)23)19-8-4-6-17(29-19)31-12-11-15(30-31)21(24,25)26;1-24(2,16-8-4-6-13(22-16)18(25)26)15-7-3-5-12(21-15)11-9-10-14(19)23-17(11)20;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-4(6)3-5(2)7;;;;;;/h4-9,11-14H,1-3H3;3-8,10-11H,1-2H3;3-8,10H,1-2H3,(H,25,26);3-9,11-12H,1-2H3;2*1-7,9-11H;3,6H,1-2H3;;;;;;/q2*-1;;3*-1;;;;;;;+2 |
| InChIKey | ORSGZDRFGBZQJA-UHFFFAOYSA-N |
| XLogP | 26.15 |
| TPSA | 230.66 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3052.10 |
| LogP ≤ 5 | 26.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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