C212H208Ir3N15O6Pt2S-7 — CID 157067405
2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(2,6-dicyclohexylphenyl)-11-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+) (PubChem CID 157067405) has the molecular formula C212H208Ir3N15O6Pt2S-7 and a molecular weight of 4060.97 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(2,6-dicyclohexylphenyl)-11-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+).
| Compound Name | 2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(2,6-dicyclohexylphenyl)-11-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+) |
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| PubChem CID | 157067405 |
| Molecular Formula | C212H208Ir3N15O6Pt2S-7 |
| Molecular Weight | 4060.97 g/mol |
| Exact Mass | 4060.44 |
| IUPAC Name | 2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(2,6-dicyclohexylphenyl)-11-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+) |
| SMILES | CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc(C2CCCCC2)c(-n2ccnc2-c2[c-]c(N(c3[c-]c(-c4nccn4-c4c(C5CCCCC5)cc(-c5ccccc5)cc4C4CCCCC4)ccc3)c3ccccc3)ccc2)c(C2CCCCC2)c1.[Ir].[Ir].[Ir].[Pt+2].[Pt].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12.[c-]1ccccc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5c(C6CCCCC6)cccc5C5CCCCC5)cnc43)ccc2c2ccccc21 |
| InChI | InChI=1S/C67H71N5.C51H42N3O.C28H27N2.C21H23N2.C17H10NO.C12H7N2S.C11H20O2.C5H8O2.3Ir.2Pt/c1-48-42-60(50-24-10-3-11-25-50)64(61(43-48)51-26-12-4-13-27-51)70-40-38-68-66(70)54-32-20-36-58(44-54)72(57-34-18-7-19-35-57)59-37-21-33-55(45-59)67-69-39-41-71(67)65-62(52-28-14-5-15-29-52)46-56(49-22-8-2-9-23-49)47-63(65)53-30-16-6-17-31-53;1-4-15-34(16-5-1)39-23-14-24-40(35-17-6-2-7-18-35)50(39)49-33-52-51-45-31-37(27-29-41(45)42-21-10-13-26-47(42)54(49)51)55-38-28-30-44-43-22-11-12-25-46(43)53(48(44)32-38)36-19-8-3-9-20-36;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;/h2,7-9,18-23,32-43,46-47,50-53H,3-6,10-17,24-31H2,1H3;3,8-14,19,21-30,33-35H,1-2,4-7,15-18H2;7-12,14-16H,1-6H3;5-9,11-16H,1-4H3;1-7,9-11H;1-4,6-8H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;;;/q-2;-3;4*-1;;;;;;;+2 |
| InChIKey | JKWFMVZZNVWGFL-UHFFFAOYSA-N |
| XLogP | 56.76 |
| TPSA | 240.35 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 239 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4060.97 |
| LogP ≤ 5 | 56.76 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'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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