tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-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

C142H108F20Ir4N16O8P8-4 — CID 158721698

About tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-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(diphenylphosphorylimino-hydroxy-diphenyl-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 158721698) has the molecular formula C142H108F20Ir4N16O8P8-4 and a molecular weight of 3563.15 g/mol. Its IUPAC name is tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-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(diphenylphosphorylimino-hydroxy-diphenyl-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: 158721698
• Molecular Formula: C142H108F20Ir4N16O8P8-4
• Molecular Weight: 3563.15 g/mol
• Exact Mass: 3564.47
• IUPAC Name: tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-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.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.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C24H21NO2P2.2C12H6F6N3.2C11H6F4N3.4Ir/c4*26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;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*1-20,26H;2,4-5H,1H3;3-5H,1H3;2,4-5H,1H3;3-5H,1H3;;;;/q;;;;4*-1
• InChIKey: QPSVQNXOJFICNS-UHFFFAOYSA-N
• XLogP: 31.67
• TPSA: 353.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3563.15
LogP ≤ 5	31.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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(diphenylphosphorylimino-hydroxy-diphenyl-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(diphenylphosphorylimino-hydroxy-diphenyl-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 158721698) is tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-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(diphenylphosphorylimino-hydroxy-diphenyl-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(diphenylphosphorylimino-hydroxy-diphenyl-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.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.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-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 QPSVQNXOJFICNS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H21NO2P2.2C12H6F6N3.2C11H6F4N3.4Ir/c4*26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;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*1-20,26H;2,4-5H,1H3;3-5H,1H3;2,4-5H,1H3;3-5H,1H3;;;;/q;;;;4*-1;;;;.

What are the key properties of tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-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(diphenylphosphorylimino-hydroxy-diphenyl-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 3563.15 g/mol, XLogP of 31.67, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-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 158721698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).