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

C121H110F6Ir4N30-12 — CID 158136910

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

tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158136910) has the molecular formula C121H110F6Ir4N30-12 and a molecular weight of 2867.28 g/mol. Its IUPAC name is tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 158136910
• Molecular Formula: C121H110F6Ir4N30-12
• Molecular Weight: 2867.28 g/mol
• Exact Mass: 2868.80
• IUPAC Name: tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-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.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.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1
• InChI: InChI=1S/8C11H11N2.C9H5F3N3.C8H4F3N4.C8H7N4.C8H6N3.4Ir/c8*1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;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;1-2-5-9-7(3-1)8-4-6-10-11-8;;;;/h8*3-5,7-8H,1-2H3;1-5H;1-4H;2-5H,1H3;1-6H;;;;/q12*-1
• InChIKey: ABFHQSXYFZLBEC-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 255.78 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2867.28
LogP ≤ 5	15.21
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(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158136910) is tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

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

The canonical SMILES for tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-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.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.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.

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

The InChIKey is ABFHQSXYFZLBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/8C11H11N2.C9H5F3N3.C8H4F3N4.C8H7N4.C8H6N3.4Ir/c8*1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;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;1-2-5-9-7(3-1)8-4-6-10-11-8;;;;/h8*3-5,7-8H,1-2H3;1-5H;1-4H;2-5H,1H3;1-6H;;;;/q12*-1;;;;.

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

tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2867.28 g/mol, XLogP of 15.21, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158136910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).