bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C197H142F15Ir3N24O8-9 — CID 157424557

About bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 157424557) has the molecular formula C197H142F15Ir3N24O8-9 and a molecular weight of 3835.08 g/mol. Its IUPAC name is bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 157424557
• Molecular Formula: C197H142F15Ir3N24O8-9
• Molecular Weight: 3835.08 g/mol
• Exact Mass: 3835.01
• IUPAC Name: bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc[c-]c(-n2[c-][n+](-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2-c2ccccc2)c1.FC(F)(F)c1cc[c-]c(-n2[c-][n+](-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2-c2ccccc2)c1.[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/2C29H17F6N2.4C29H23N2O2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c2*30-28(31,32)22-13-7-15-24(17-22)36-19-37(25-16-8-14-23(18-25)29(33,34)35)27(21-11-5-2-6-12-21)26(36)20-9-3-1-4-10-20;4*1-32-26-17-9-15-24(19-26)30-21-31(25-16-10-18-27(20-25)33-2)29(23-13-7-4-8-14-23)28(30)22-11-5-3-6-12-22;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h2*1-15,17-18H;4*3-15,17-20H,1-2H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1
• InChIKey: RGODUIVFZIUCRO-UHFFFAOYSA-N
• XLogP: 41.08
• TPSA: 285.01 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3835.08
LogP ≤ 5	41.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 157424557) is bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc[c-]c(-n2[c-][n+](-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2-c2ccccc2)c1.FC(F)(F)c1cc[c-]c(-n2[c-][n+](-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2-c2ccccc2)c1.[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is RGODUIVFZIUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H17F6N2.4C29H23N2O2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c2*30-28(31,32)22-13-7-15-24(17-22)36-19-37(25-16-8-14-23(18-25)29(33,34)35)27(21-11-5-2-6-12-21)26(36)20-9-3-1-4-10-20;4*1-32-26-17-9-15-24(19-26)30-21-31(25-16-10-18-27(20-25)33-2)29(23-13-7-4-8-14-23)28(30)22-11-5-3-6-12-22;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h2*1-15,17-18H;4*3-15,17-20H,1-2H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;.

What are the key properties of bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3835.08 g/mol, XLogP of 41.08, 35 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4,5-diphenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazol-3-ium-2-ide);tris(iridium);tetrakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 157424557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).