C110H83F20IrN7O8OsP2Rh3S-4 — CID 158076500
3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;osmium;pentane-2,4-diol;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;pyridine-2-carboxylic acid;tris(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 158076500) has the molecular formula C110H83F20IrN7O8OsP2Rh3S-4 and a molecular weight of 2796.05 g/mol. Its IUPAC name is 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;osmium;pentane-2,4-diol;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;pyridine-2-carboxylic acid;tris(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine.
| Compound Name | 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;osmium;pentane-2,4-diol;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;pyridine-2-carboxylic acid;tris(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine |
|---|---|
| PubChem CID | 158076500 |
| Molecular Formula | C110H83F20IrN7O8OsP2Rh3S-4 |
| Molecular Weight | 2796.05 g/mol |
| Exact Mass | 2797.16 |
| IUPAC Name | 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;osmium;pentane-2,4-diol;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;pyridine-2-carboxylic acid;tris(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine |
| SMILES | C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1cnc(-c2[c-]cccc2)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].[Os].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1 |
| InChI | InChI=1S/C26H22P2.C22H16N2.C12H6F4N.C11H6F2N.C11H8N.C9H6NS.C6H5NO2.C5H12O2.2C4HF7O2.Ir.Os.3Rh/c1-5-13-23(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;12-9-6-10(13)11(14-7-9)8-4-2-1-3-5-8;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;;/h1-22H;1-16H;1,3-7H;1-4,6-7H;1-6,8-9H;1-4,6-7H;1-4H,(H,8,9);4-7H,3H2,1-2H3;2*(H,12,13);;;;;/q;;4*-1;;;;;;;;; |
| InChIKey | KSZFYYMHHRBOBO-UHFFFAOYSA-N |
| XLogP | 24.40 |
| TPSA | 248.25 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2796.05 |
| LogP ≤ 5 | 24.40 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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