tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C136H127F3Ir3N23O22-9 — CID 159101367

About tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159101367) has the molecular formula C136H127F3Ir3N23O22-9 and a molecular weight of 3069.30 g/mol. Its IUPAC name is tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 159101367
• Molecular Formula: C136H127F3Ir3N23O22-9
• Molecular Weight: 3069.30 g/mol
• Exact Mass: 3069.84
• IUPAC Name: tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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)cc3OC)cc2)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)cc2)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)cc2)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)cc2)c(OC)c1.COc1ccc(-[n+]2[c-]n(-c3[c-]cc(OC)cc3OC)cc2)c(C)c1.COc1ccc(-[n+]2[c-]n(-c3[c-]cc(OC)cc3OC)cc2)cc1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/4C19H19N2O4.C19H19N2O3.C18H17N2O3.C9H5F3N3.C8H6N3.C6H4N5.3Ir/c4*1-22-14-5-7-16(18(11-14)24-3)20-9-10-21(13-20)17-8-6-15(23-2)12-19(17)25-4;1-14-11-15(22-2)5-7-17(14)20-9-10-21(13-20)18-8-6-16(23-3)12-19(18)24-4;1-21-15-6-4-14(5-7-15)19-10-11-20(13-19)17-9-8-16(22-2)12-18(17)23-3;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h4*5-7,9-12H,1-4H3;5-7,9-12H,1-4H3;4-8,10-12H,1-3H3;1-5H;1-6H;1-4H;;;/q9*-1
• InChIKey: BFSPQBYGJWMZDO-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 401.34 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3069.30
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

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-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159101367) is tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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)cc3OC)cc2)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)cc2)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)cc2)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)cc2)c(OC)c1.COc1ccc(-[n+]2[c-]n(-c3[c-]cc(OC)cc3OC)cc2)c(C)c1.COc1ccc(-[n+]2[c-]n(-c3[c-]cc(OC)cc3OC)cc2)cc1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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 BFSPQBYGJWMZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H19N2O4.C19H19N2O3.C18H17N2O3.C9H5F3N3.C8H6N3.C6H4N5.3Ir/c4*1-22-14-5-7-16(18(11-14)24-3)20-9-10-21(13-20)17-8-6-15(23-2)12-19(17)25-4;1-14-11-15(22-2)5-7-17(14)20-9-10-21(13-20)18-8-6-16(23-3)12-19(18)24-4;1-21-15-6-4-14(5-7-15)19-10-11-20(13-19)17-9-8-16(22-2)12-18(17)23-3;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h4*5-7,9-12H,1-4H3;5-7,9-12H,1-4H3;4-8,10-12H,1-3H3;1-5H;1-6H;1-4H;;;/q9*-1;;;.

What are the key properties of tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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 3069.30 g/mol, XLogP of 17.73, 37 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxy-2-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;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 159101367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).