C150H142Ir5N9O8Pt-4 — CID 162038884
2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;3,4-dimethyl-2,6-di(phenyl)pyridine;2-(2,3-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum(2+) (PubChem CID 162038884) has the molecular formula C150H142Ir5N9O8Pt-4 and a molecular weight of 3355.00 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;3,4-dimethyl-2,6-di(phenyl)pyridine;2-(2,3-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum(2+).
| Compound Name | 2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;3,4-dimethyl-2,6-di(phenyl)pyridine;2-(2,3-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum(2+) |
|---|---|
| PubChem CID | 162038884 |
| Molecular Formula | C150H142Ir5N9O8Pt-4 |
| Molecular Weight | 3355.00 g/mol |
| Exact Mass | 3356.88 |
| IUPAC Name | 2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;3,4-dimethyl-2,6-di(phenyl)pyridine;2-(2,3-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);iridium(3+);1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum(2+) |
| SMILES | CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ccc3c(C)cc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc(C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C)ccc23)cc(C)c1.Cc1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1C.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1C.[Ir+3].[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccccc1/C=N/c1ccccc1/N=C/c1[c-]cccc1 |
| InChI | InChI=1S/C20H14N2.C19H18N.C19H15N.C18H15N2.3C18H16N.4C5H8O2.5Ir.Pt/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;1-12-7-13(2)10-16(9-12)18-6-5-17-15(4)8-14(3)11-19(17)20-18;1-14-13-18(16-9-5-3-6-10-16)20-19(15(14)2)17-11-7-4-8-12-17;1-13-11-15(17-7-3-5-9-19-17)12-16(14(13)2)18-8-4-6-10-20-18;1-12-4-6-17-15(9-12)5-7-18(19-17)16-10-13(2)8-14(3)11-16;1-12-4-5-15-6-7-17(19-18(15)11-12)16-9-13(2)8-14(3)10-16;1-12-4-5-17-15(9-12)6-7-19-18(17)16-10-13(2)8-14(3)11-16;4*1-4(6)3-5(2)7;;;;;;/h1-9,11,13-16H;5-9,11H,1-4H3;3-9,11,13H,1-2H3;3-11H,1-2H3;4-10H,1-3H3;4-9,11H,1-3H3;4-10H,1-3H3;4*3,6H,1-2H3;;;;;;/q-2;-1;-2;4*-1;;;;;;;;;+3;+2/b21-15+,22-16+;;;;;;;;;;;;;;;; |
| InChIKey | CAYBWWSYNFNFIZ-NKENCHPDSA-N |
| XLogP | 36.60 |
| TPSA | 264.15 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3355.00 |
| LogP ≤ 5 | 36.60 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|