4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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

C136H128F3Ir3N24O8-9 — CID 159081755

About 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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

4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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 159081755) has the molecular formula C136H128F3Ir3N24O8-9 and a molecular weight of 2860.32 g/mol. Its IUPAC name is 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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: 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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: 159081755
• Molecular Formula: C136H128F3Ir3N24O8-9
• Molecular Weight: 2860.32 g/mol
• Exact Mass: 2860.92
• IUPAC Name: 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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(OC)cc3)c(C)c2C)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(C)c2C)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(C)c2C)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(C)c2C)cc1.Cc1cc[c-]c(-n2[c-][n+](-c3cccc(C)c3)c(C)c2C)c1.Cc1cc[c-]c(-n2[c-][n+](-c3ccccc3)c(C)c2C)c1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/4C19H19N2O2.C19H19N2.C18H17N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c4*1-14-15(2)21(17-7-11-19(23-4)12-8-17)13-20(14)16-5-9-18(22-3)10-6-16;1-14-7-5-9-18(11-14)20-13-21(17(4)16(20)3)19-10-6-8-15(2)12-19;1-14-8-7-11-18(12-14)20-13-19(15(2)16(20)3)17-9-5-4-6-10-17;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;;;/h4*5-7,9-12H,1-4H3;5-9,11-12H,1-4H3;4-10,12H,1-3H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1
• InChIKey: XXCHRVAXUHBJQO-UHFFFAOYSA-N
• XLogP: 21.63
• TPSA: 285.01 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2860.32
LogP ≤ 5	21.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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 159081755) is 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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(OC)cc3)c(C)c2C)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(C)c2C)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(C)c2C)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(C)c2C)cc1.Cc1cc[c-]c(-n2[c-][n+](-c3cccc(C)c3)c(C)c2C)c1.Cc1cc[c-]c(-n2[c-][n+](-c3ccccc3)c(C)c2C)c1.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 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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 XXCHRVAXUHBJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H19N2O2.C19H19N2.C18H17N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c4*1-14-15(2)21(17-7-11-19(23-4)12-8-17)13-20(14)16-5-9-18(22-3)10-6-16;1-14-7-5-9-18(11-14)20-13-21(17(4)16(20)3)19-10-6-8-15(2)12-19;1-14-8-7-11-18(12-14)20-13-19(15(2)16(20)3)17-9-5-4-6-10-17;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;;;/h4*5-7,9-12H,1-4H3;5-9,11-12H,1-4H3;4-10,12H,1-3H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;.

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

4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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 2860.32 g/mol, XLogP of 21.63, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide;4,5-dimethyl-1-(3-methylbenzene-6-id-1-yl)-3-phenyl-2H-imidazol-3-ium-2-ide;tris(iridium);tetrakis(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 159081755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).