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

C160H108F52Ir4N12O8P8-4 — CID 158362155

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

tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) (PubChem CID 158362155) has the molecular formula C160H108F52Ir4N12O8P8-4 and a molecular weight of 4331.26 g/mol. Its IUPAC name is tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium).

Molecular Properties

• Compound Name: tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)
• PubChem CID: 158362155
• Molecular Formula: C160H108F52Ir4N12O8P8-4
• Molecular Weight: 4331.26 g/mol
• Exact Mass: 4332.40
• IUPAC Name: tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)
• SMILES: Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(F)cn2)[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-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(F)cn1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C28H20F9NO2P2.4C12H7F4N2.4Ir/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(10-4-2-8(13)6-17-10)3-5-11(18-7)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-4-8(5-11(18-7)12(14,15)16)10-3-2-9(13)6-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;;;;/h4*2-17,39H,1H3;2,4-6H,1H3;2*2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1
• InChIKey: YQUINIDGBKXJFM-UHFFFAOYSA-N
• XLogP: 45.79
• TPSA: 301.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4331.26
LogP ≤ 5	45.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)?

The IUPAC name of tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) (CID 158362155) is tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium).

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

The canonical SMILES for tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) is Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(F)cn2)[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-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(F)cn1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)?

The InChIKey is YQUINIDGBKXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H20F9NO2P2.4C12H7F4N2.4Ir/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(10-4-2-8(13)6-17-10)3-5-11(18-7)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-4-8(5-11(18-7)12(14,15)16)10-3-2-9(13)6-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;;;;/h4*2-17,39H,1H3;2,4-6H,1H3;2*2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1;;;;.

What are the key properties of tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)?

tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) has a molecular weight of 4331.26 g/mol, XLogP of 45.79, 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);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) is sourced from PubChem (CID 158362155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).