tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine

C160H114F48Ir4N14O8P8-4 — CID 158940294

About tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine

tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine (PubChem CID 158940294) has the molecular formula C160H114F48Ir4N14O8P8-4 and a molecular weight of 4289.33 g/mol. Its IUPAC name is tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine.

Molecular Properties

• Compound Name: tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine
• PubChem CID: 158940294
• Molecular Formula: C160H114F48Ir4N14O8P8-4
• Molecular Weight: 4289.33 g/mol
• Exact Mass: 4290.46
• IUPAC Name: tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine
• SMILES: Cc1cc(-c2ncccn2)[c-]c(C(F)(F)F)n1.Cc1ccc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1ccc(-c2[c-]cc(C(F)(F)F)nc2C)nc1.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-c1ncccn1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C28H20F9NO2P2.2C13H10F3N2.2C11H7F3N3.4Ir/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;1-8-3-5-11(17-7-8)10-4-6-12(13(14,15)16)18-9(10)2;1-8-3-4-11(17-7-8)10-5-9(2)18-12(6-10)13(14,15)16;1-7-8(10-15-5-2-6-16-10)3-4-9(17-7)11(12,13)14;1-7-5-8(10-15-3-2-4-16-10)6-9(17-7)11(12,13)14;;;;/h4*2-17,39H,1H3;3,5-7H,1-2H3;3-5,7H,1-2H3;2,4-6H,1H3;2-5H,1H3;;;;/q;;;;4*-1
• InChIKey: KOTYUEAJQXKGGD-UHFFFAOYSA-N
• XLogP: 44.64
• TPSA: 327.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4289.33
LogP ≤ 5	44.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine?

The IUPAC name of tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine (CID 158940294) is tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine.

What is the SMILES notation for tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine?

The canonical SMILES for tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine is Cc1cc(-c2ncccn2)[c-]c(C(F)(F)F)n1.Cc1ccc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1ccc(-c2[c-]cc(C(F)(F)F)nc2C)nc1.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-c1ncccn1.[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-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine?

The InChIKey is KOTYUEAJQXKGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H20F9NO2P2.2C13H10F3N2.2C11H7F3N3.4Ir/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;1-8-3-5-11(17-7-8)10-4-6-12(13(14,15)16)18-9(10)2;1-8-3-4-11(17-7-8)10-5-9(2)18-12(6-10)13(14,15)16;1-7-8(10-15-5-2-6-16-10)3-4-9(17-7)11(12,13)14;1-7-5-8(10-15-3-2-4-16-10)6-9(17-7)11(12,13)14;;;;/h4*2-17,39H,1H3;3,5-7H,1-2H3;3-5,7H,1-2H3;2,4-6H,1H3;2-5H,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-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine?

tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine has a molecular weight of 4289.33 g/mol, XLogP of 44.64, 24 rotatable bonds, 4 hydrogen bond donors, and 14 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-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine is sourced from PubChem (CID 158940294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).