2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C117H108F3Ir4N33-12 — CID 159887206

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;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;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 159887206) has the molecular formula C117H108F3Ir4N33-12 and a molecular weight of 2802.24 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;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;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 159887206
• Molecular Formula: C117H108F3Ir4N33-12
• Molecular Weight: 2802.24 g/mol
• Exact Mass: 2803.80
• IUPAC Name: 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: Cc1c[c-]c(-n2[c-][n+](C)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](C)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](C)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](C)cc2)cc1.Cc1cc[c-]c(-n2[c-][n+](C)cc2)c1.Cc1cc[c-]c(-n2[c-][n+](C)cc2)c1.Cc1cc[c-]c(-n2[c-][n+](C)cc2)c1.Cc1cc[c-]c(-n2[c-][n+](C)cc2)c1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/8C11H11N2.C8H4F3N4.C8H7N4.C7H5N4.C6H4N5.4Ir/c4*1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;4*1-10-4-3-5-11(8-10)13-7-6-12(2)9-13;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-8-6(3-1)7-5-9-11-10-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h4*3-5,7-8H,1-2H3;4*3-4,6-8H,1-2H3;1-4H;2-5H,1H3;1-5H;1-4H;;;;/q12*-1
• InChIKey: CGMLJILOSGYHMF-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 294.45 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2802.24
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;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;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 159887206) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;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;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;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;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is Cc1c[c-]c(-n2[c-][n+](C)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](C)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](C)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](C)cc2)cc1.Cc1cc[c-]c(-n2[c-][n+](C)cc2)c1.Cc1cc[c-]c(-n2[c-][n+](C)cc2)c1.Cc1cc[c-]c(-n2[c-][n+](C)cc2)c1.Cc1cc[c-]c(-n2[c-][n+](C)cc2)c1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The InChIKey is CGMLJILOSGYHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/8C11H11N2.C8H4F3N4.C8H7N4.C7H5N4.C6H4N5.4Ir/c4*1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;4*1-10-4-3-5-11(8-10)13-7-6-12(2)9-13;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-8-6(3-1)7-5-9-11-10-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h4*3-5,7-8H,1-2H3;4*3-4,6-8H,1-2H3;1-4H;2-5H,1H3;1-5H;1-4H;;;;/q12*-1;;;;.

What are the key properties of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;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;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 2802.24 g/mol, XLogP of 12.38, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-methyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);tetrakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 159887206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).