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

C164H108F60Ir4N12O8P8-4 — CID 157375063

IUPACtetrakis(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
SMILESCc1cc(-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]
InChIInChI=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;;;;
InChIKeyFCFOUJIKFMKKDE-UHFFFAOYSA-N
MW4531.28 g/mol
LogP49.31
Rot. Bonds24

About 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

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.

Molecular Properties

Compound Nametetrakis(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 CID157375063
Molecular FormulaC164H108F60Ir4N12O8P8-4
Molecular Weight4531.28 g/mol
Exact Mass4532.39
IUPAC Nametetrakis(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
SMILESCc1cc(-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]
InChIInChI=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;;;;
InChIKeyFCFOUJIKFMKKDE-UHFFFAOYSA-N
XLogP49.31
TPSA301.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004531.28
LogP ≤ 549.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 157375063) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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].
What is the InChIKey of 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?
The InChIKey is FCFOUJIKFMKKDE-UHFFFAOYSA-N. The full InChI is 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;;;;.
What are the key properties of 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?
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 has a molecular weight of 4531.28 g/mol, XLogP of 49.31, 24 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157375063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).