C188H160F16Ir2N14O6OsP2Pt3-2 — CID 158671083
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4-hydroxypent-3-en-2-one;bis(iridium(3+));tris(2-(4-methylbenzene-6-id-1-yl)pyridine);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);platinum;platinum(2+) (PubChem CID 158671083) has the molecular formula C188H160F16Ir2N14O6OsP2Pt3-2 and a molecular weight of 4237.25 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4-hydroxypent-3-en-2-one;bis(iridium(3+));tris(2-(4-methylbenzene-6-id-1-yl)pyridine);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);platinum;platinum(2+).
| Compound Name | 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4-hydroxypent-3-en-2-one;bis(iridium(3+));tris(2-(4-methylbenzene-6-id-1-yl)pyridine);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);platinum;platinum(2+) |
|---|---|
| PubChem CID | 158671083 |
| Molecular Formula | C188H160F16Ir2N14O6OsP2Pt3-2 |
| Molecular Weight | 4237.25 g/mol |
| Exact Mass | 4237.97 |
| IUPAC Name | 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4-hydroxypent-3-en-2-one;bis(iridium(3+));tris(2-(4-methylbenzene-6-id-1-yl)pyridine);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);platinum;platinum(2+) |
| SMILES | C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir+3].[Ir+3].[Os].[Pt+2].[Pt].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1 |
| InChI | InChI=1S/C36H44N4.C26H22P2.C22H16N2.3C12H10N.C11H6F2N.4C11H8N.C5H8O2.2C4HF7O2.2Ir.Os.3Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;3*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;;;/h17-20H,9-16H2,1-8H3;1-22H;1-16H;3*2-7,9H,1H3;1-4,6-7H;4*1-6,8-9H;3,6H,1-2H3;2*(H,12,13);;;;;;/q-2;;;8*-1;;;;2*+3;;;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;;;; |
| InChIKey | IZEPTGDSMWHYQK-KKXVKECKSA-N |
| XLogP | 43.70 |
| TPSA | 300.44 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4237.25 |
| LogP ≤ 5 | 43.70 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 18 |
| 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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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