C164H108F60Ir4N12O8P8-4 — CID 157375063
tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide (PubChem CID 157375063) has the molecular formula C164H108F60Ir4N12O8P8-4 and a molecular weight of 4531.28 g/mol. Its IUPAC name is tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide.
| Compound Name | tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide |
|---|---|
| PubChem CID | 157375063 |
| Molecular Formula | C164H108F60Ir4N12O8P8-4 |
| Molecular Weight | 4531.28 g/mol |
| Exact Mass | 4532.39 |
| IUPAC Name | tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide |
| SMILES | Cc1cc(-c2ccc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1ccc(P(O)(=NP(=O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(P(O)(=NP(=O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(P(O)(=NP(=O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(P(O)(=NP(=O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(C(F)(F)F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(F)(F)F)n1.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/4C28H20F9NO2P2.4C13H7F6N2.4Ir/c4*1-18-2-10-22(11-3-18)41(39,23-12-4-19(5-13-23)26(29,30)31)38-42(40,24-14-6-20(7-15-24)27(32,33)34)25-16-8-21(9-17-25)28(35,36)37;1-7-9(3-5-11(21-7)13(17,18)19)10-4-2-8(6-20-10)12(14,15)16;1-7-4-8(5-11(21-7)13(17,18)19)10-3-2-9(6-20-10)12(14,15)16;1-7-5-8(6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-8(5-6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;;;;/h4*2-17,39H,1H3;2,4-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;;;;/q;;;;4*-1;;;; |
| InChIKey | FCFOUJIKFMKKDE-UHFFFAOYSA-N |
| XLogP | 49.31 |
| TPSA | 301.76 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4531.28 |
| LogP ≤ 5 | 49.31 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 12 |