tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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

C129H106F11Ir3N24O3-9 — CID 157382116

About tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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

tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 157382116) has the molecular formula C129H106F11Ir3N24O3-9 and a molecular weight of 2826.06 g/mol. Its IUPAC name is tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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: tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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: 157382116
• Molecular Formula: C129H106F11Ir3N24O3-9
• Molecular Weight: 2826.06 g/mol
• Exact Mass: 2826.76
• IUPAC Name: tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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: COc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)c(C)c2C)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(C)c2C)cc1.Cc1c(C)[n+](-c2ccc(F)cc2)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](-c2ccc(F)cc2)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](-c2ccc(F)cc2)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](-c2ccc(F)cc2)[c-]n1-c1[c-]cc(F)cc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/C19H19N2O2.C19H19N2O.4C17H13F2N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c1-14-15(2)21(17-7-11-19(23-4)12-8-17)13-20(14)16-5-9-18(22-3)10-6-16;1-14-5-7-17(8-6-14)20-13-21(16(3)15(20)2)18-9-11-19(22-4)12-10-18;4*1-12-13(2)21(17-9-5-15(19)6-10-17)11-20(12)16-7-3-14(18)4-8-16;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;;;/h5-7,9-12H,1-4H3;5-9,11-12H,1-4H3;4*3-9H,1-2H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1
• InChIKey: GNABZWZFGCJQRO-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 238.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2826.06
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 157382116) is tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 COc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)c(C)c2C)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(C)c2C)cc1.Cc1c(C)[n+](-c2ccc(F)cc2)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](-c2ccc(F)cc2)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](-c2ccc(F)cc2)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](-c2ccc(F)cc2)[c-]n1-c1[c-]cc(F)cc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 GNABZWZFGCJQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O2.C19H19N2O.4C17H13F2N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c1-14-15(2)21(17-7-11-19(23-4)12-8-17)13-20(14)16-5-9-18(22-3)10-6-16;1-14-5-7-17(8-6-14)20-13-21(16(3)15(20)2)18-9-11-19(22-4)12-10-18;4*1-12-13(2)21(17-9-5-15(19)6-10-17)11-20(12)16-7-3-14(18)4-8-16;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;;;/h5-7,9-12H,1-4H3;5-9,11-12H,1-4H3;4*3-9H,1-2H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;.

What are the key properties of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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?

tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 2826.06 g/mol, XLogP of 22.08, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-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 157382116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).