tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine

C144H114F18Ir4N16O8P8-4 — CID 157446108

About tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine

tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 157446108) has the molecular formula C144H114F18Ir4N16O8P8-4 and a molecular weight of 3555.22 g/mol. Its IUPAC name is tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

• Compound Name: tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine
• PubChem CID: 157446108
• Molecular Formula: C144H114F18Ir4N16O8P8-4
• Molecular Weight: 3555.22 g/mol
• Exact Mass: 3556.52
• IUPAC Name: tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine
• SMILES: Cc1cc(-c2cnc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(C)n2)[c-]c(C(F)(F)F)n1.Cc1cncc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(C(F)(F)F)cn1.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/4C24H21NO2P2.2C12H6F6N3.2C12H9F3N3.4Ir/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(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-6-7(2-3-9(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-7-3-9(4-11(18-7)12(13,14)15)10-6-16-5-8(2)17-10;1-7-5-16-6-10(17-7)9-3-4-11(12(13,14)15)18-8(9)2;;;;/h4*1-20,26H;2,4-5H,1H3;3-5H,1H3;3,5-6H,1-2H3;4-6H,1-2H3;;;;/q;;;;4*-1
• InChIKey: YIBFMDHRXXOBEA-UHFFFAOYSA-N
• XLogP: 32.01
• 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	3555.22
LogP ≤ 5	32.01
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);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine?

The IUPAC name of tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine (CID 157446108) is tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine.

What is the SMILES notation for tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine?

The canonical SMILES for tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine is Cc1cc(-c2cnc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(C)n2)[c-]c(C(F)(F)F)n1.Cc1cncc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(C(F)(F)F)cn1.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);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine?

The InChIKey is YIBFMDHRXXOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H21NO2P2.2C12H6F6N3.2C12H9F3N3.4Ir/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(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-6-7(2-3-9(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-7-3-9(4-11(18-7)12(13,14)15)10-6-16-5-8(2)17-10;1-7-5-16-6-10(17-7)9-3-4-11(12(13,14)15)18-8(9)2;;;;/h4*1-20,26H;2,4-5H,1H3;3-5H,1H3;3,5-6H,1-2H3;4-6H,1-2H3;;;;/q;;;;4*-1;;;;.

What are the key properties of tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine?

tetrakis(diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine has a molecular weight of 3555.22 g/mol, XLogP of 32.01, 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);tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-methyl-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 157446108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).