C178H163F20Ir3N13O10OsP2Pt3Rh-6 — CID 158674608
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;bis(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid;rhodium (PubChem CID 158674608) has the molecular formula C178H163F20Ir3N13O10OsP2Pt3Rh-6 and a molecular weight of 4541.27 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;bis(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid;rhodium.
| Compound Name | 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;bis(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid;rhodium |
|---|---|
| PubChem CID | 158674608 |
| Molecular Formula | C178H163F20Ir3N13O10OsP2Pt3Rh-6 |
| Molecular Weight | 4541.27 g/mol |
| Exact Mass | 4542.83 |
| IUPAC Name | 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;bis(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid;rhodium |
| SMILES | C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.CC(O)CC(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.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].[Ir].[Ir].[Os].[Pt+2].[Pt].[Pt].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1 |
| InChI | InChI=1S/C36H44N4.C26H22P2.C22H16N2.C13H12N.C12H6F4N.C12H10N.C11H6F2N.2C11H8N.C6H5NO2.2C5H12O2.2C4HF7O2.3Ir.Os.3Pt.Rh/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;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;2*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;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;1-4,6-7H;2*1-6,8-9H;1-4H,(H,8,9);2*4-7H,3H2,1-2H3;2*(H,12,13);;;;;;;;/q-2;;;6*-1;;;;;;;;;;;;+2;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | RUYDVNIQCPBWHA-VHKWJPQGSA-N |
| XLogP | 39.39 |
| TPSA | 368.47 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 231 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4541.27 |
| LogP ≤ 5 | 39.39 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|