2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C148H151F3Ir3N23O24-9 — CID 159890228

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 159890228) has the molecular formula C148H151F3Ir3N23O24-9 and a molecular weight of 3269.62 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 159890228
• Molecular Formula: C148H151F3Ir3N23O24-9
• Molecular Weight: 3269.62 g/mol
• Exact Mass: 3270.02
• IUPAC Name: 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)cc2C)c(OC)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
• InChI: InChI=1S/5C21H23N2O4.C20H21N2O4.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c5*1-14-15(2)23(19-10-8-17(25-4)12-21(19)27-6)13-22(14)18-9-7-16(24-3)11-20(18)26-5;1-14-12-21(17-8-6-15(23-2)10-19(17)25-4)13-22(14)18-9-7-16(24-3)11-20(18)26-5;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;;;/h5*7-9,11-12H,1-6H3;6-8,10-12H,1-5H3;1-4H;1-6H;1-5H;;;/q9*-1
• InChIKey: AGWUNCOYSOFCIC-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 419.80 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 39
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3269.62
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

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 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 159890228) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

What is the SMILES notation for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)c(C)c2C)c(OC)c1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3OC)cc2C)c(OC)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.

What is the InChIKey of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The InChIKey is AGWUNCOYSOFCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/5C21H23N2O4.C20H21N2O4.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c5*1-14-15(2)23(19-10-8-17(25-4)12-21(19)27-6)13-22(14)18-9-7-16(24-3)11-20(18)26-5;1-14-12-21(17-8-6-15(23-2)10-19(17)25-4)13-22(14)18-9-7-16(24-3)11-20(18)26-5;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;;;/h5*7-9,11-12H,1-6H3;6-8,10-12H,1-5H3;1-4H;1-6H;1-5H;;;/q9*-1;;;.

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

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 3269.62 g/mol, XLogP of 20.83, 39 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;pentakis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);3-(2,4-dimethoxybenzene-6-id-1-yl)-1-(2,4-dimethoxyphenyl)-4-methyl-2H-imidazol-1-ium-2-ide;tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 159890228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).