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

C158H104F56Ir4N16O8P8-4 — CID 158536161

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

tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine (PubChem CID 158536161) has the molecular formula C158H104F56Ir4N16O8P8-4 and a molecular weight of 4435.22 g/mol. Its IUPAC name is tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine.

Molecular Properties

• Compound Name: tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine
• PubChem CID: 158536161
• Molecular Formula: C158H104F56Ir4N16O8P8-4
• Molecular Weight: 4435.22 g/mol
• Exact Mass: 4436.38
• IUPAC Name: tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine
• SMILES: Cc1cc(-c2cncc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(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-c1cncc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cncc(F)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C28H20F9NO2P2.2C12H6F6N3.2C11H6F4N3.4Ir/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;1-6-2-7(3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-7(2-3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-2-7(3-9(17-6)11(13,14)15)8-4-16-5-10(12)18-8;1-6-7(8-4-16-5-10(12)18-8)2-3-9(17-6)11(13,14)15;;;;/h4*2-17,39H,1H3;2,4-5H,1H3;3-5H,1H3;2,4-5H,1H3;3-5H,1H3;;;;/q;;;;4*-1
• InChIKey: GSXSKCPESIXAFI-UHFFFAOYSA-N
• XLogP: 45.13
• TPSA: 353.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4435.22
LogP ≤ 5	45.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine?

The IUPAC name of tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine (CID 158536161) is tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine.

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

The canonical SMILES for tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine is Cc1cc(-c2cncc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(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-c1cncc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cncc(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);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine?

The InChIKey is GSXSKCPESIXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H20F9NO2P2.2C12H6F6N3.2C11H6F4N3.4Ir/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;1-6-2-7(3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-7(2-3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-2-7(3-9(17-6)11(13,14)15)8-4-16-5-10(12)18-8;1-6-7(8-4-16-5-10(12)18-8)2-3-9(17-6)11(13,14)15;;;;/h4*2-17,39H,1H3;2,4-5H,1H3;3-5H,1H3;2,4-5H,1H3;3-5H,1H3;;;;/q;;;;4*-1;;;;.

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

tetrakis(bis[4-(trifluoromethyl)phenyl]phosphorylimino-hydroxy-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine has a molecular weight of 4435.22 g/mol, XLogP of 45.13, 24 rotatable bonds, 4 hydrogen bond donors, and 16 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);2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 158536161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).