C122H107F18Ir2N10O6OsP2Pt+ — CID 161160841
2,4-dimethyl-6-pyridin-2-ylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);bis(iridium);5,6,10,11,16,17,21,22-octaethyl-3,14-diaza-2,13-diazoniaheptacyclo[10.10.1.14,15.02,20.03,7.09,13.014,18]tetracosa-1,4(24),5,7,9(13),10,12(23),15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;platinum;pyridine-2-carboxylic acid (PubChem CID 161160841) has the molecular formula C122H107F18Ir2N10O6OsP2Pt+ and a molecular weight of 2982.92 g/mol. Its IUPAC name is 2,4-dimethyl-6-pyridin-2-ylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);bis(iridium);5,6,10,11,16,17,21,22-octaethyl-3,14-diaza-2,13-diazoniaheptacyclo[10.10.1.14,15.02,20.03,7.09,13.014,18]tetracosa-1,4(24),5,7,9(13),10,12(23),15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;platinum;pyridine-2-carboxylic acid.
| Compound Name | 2,4-dimethyl-6-pyridin-2-ylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);bis(iridium);5,6,10,11,16,17,21,22-octaethyl-3,14-diaza-2,13-diazoniaheptacyclo[10.10.1.14,15.02,20.03,7.09,13.014,18]tetracosa-1,4(24),5,7,9(13),10,12(23),15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;platinum;pyridine-2-carboxylic acid |
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| PubChem CID | 161160841 |
| Molecular Formula | C122H107F18Ir2N10O6OsP2Pt+ |
| Molecular Weight | 2982.92 g/mol |
| Exact Mass | 2984.61 |
| IUPAC Name | 2,4-dimethyl-6-pyridin-2-ylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);bis(iridium);5,6,10,11,16,17,21,22-octaethyl-3,14-diaza-2,13-diazoniaheptacyclo[10.10.1.14,15.02,20.03,7.09,13.014,18]tetracosa-1,4(24),5,7,9(13),10,12(23),15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;platinum;pyridine-2-carboxylic acid |
| SMILES | C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CCc1c(CC)c2cc3c(CC)c(CC)c4cc5c(CC)c(CC)c6cc7c(CC)c(CC)c(cc1n2[n+]65)n7[n+]34.Cc1cc(C)nc(-c2ccccn2)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.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].[Os].[Pt].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1 |
| InChI | InChI=1S/C36H44N4.C26H22P2.C22H16N2.C12H6F4N.C12H12N2.C6H5NO2.2C4HF7O2.2Ir.Os.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)28(16-8)36-20-34-27(15-7)26(14-6)33-19-35-24(12-4)23(11-3)31(39(35)40(32)36)17-29(21)37(30)38(33)34;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;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-9-7-10(2)14-12(8-9)11-5-3-4-6-13-11;8-6(9)5-3-1-2-4-7-5;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;/h17-20H,9-16H2,1-8H3;1-22H;1-16H;1,3-7H;3-8H,1-2H3;1-4H,(H,8,9);2*(H,12,13);;;;/q+2;;;-1;;;;;;;;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20+;;;;;;;;;;; |
| InChIKey | GGRFNEVPTHLBFZ-IUXFOZNNSA-N |
| XLogP | 26.39 |
| TPSA | 211.92 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2982.92 |
| LogP ≤ 5 | 26.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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