pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)

C121H101Ir5N24O2S2-9 — CID 159043893

About pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)

pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) (PubChem CID 159043893) has the molecular formula C121H101Ir5N24O2S2-9 and a molecular weight of 2948.52 g/mol. Its IUPAC name is pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole).

Molecular Properties

• Compound Name: pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)
• PubChem CID: 159043893
• Molecular Formula: C121H101Ir5N24O2S2-9
• Molecular Weight: 2948.52 g/mol
• Exact Mass: 2950.62
• IUPAC Name: pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)
• SMILES: CC1C=CN=[N+]1c1[c-]cccc1.Cn1[c-]c(-c2nccn2C)c(-c2ccccc2)n1.Cn1ccnc1-c1[c-]cn(C)c1-c1ccccc1.Cn1ccnc1-c1[c-]coc1-c1ccccc1.Cn1ccnc1-c1[c-]nn(C)c1-c1ccccc1.Cn1ccnc1-c1[c-]oc(-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1nccc1-c1ccccc1.[c-]1sccc1-n1cccn1.[c-]1sccc1-n1cccn1
• InChI: InChI=1S/C15H14N3.C15H11N2.2C14H13N4.2C14H11N2O.C11H8N.C10H10N2.2C7H5N2S.5Ir/c1-17-10-8-13(15-16-9-11-18(15)2)14(17)12-6-4-3-5-7-12;1-3-7-13(8-4-1)15-11-12-16-17(15)14-9-5-2-6-10-14;1-17-9-8-15-14(17)12-10-18(2)16-13(12)11-6-4-3-5-7-11;1-17-9-8-15-14(17)12-10-16-18(2)13(12)11-6-4-3-5-7-11;1-16-9-8-15-14(16)12-7-10-17-13(12)11-5-3-2-4-6-11;1-16-8-7-15-14(16)12-9-13(17-10-12)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-9-7-8-11-12(9)10-5-3-2-4-6-10;2*1-3-8-9(4-1)7-2-5-10-6-7;;;;;/h3-7,9-11H,1-2H3;1-9,11-12H;2*3-9H,1-2H3;2-6,8-10H,1H3;2-9H,1H3;1-6,8-9H;2-5,7-9H,1H3;2*1-5H;;;;;/q7*-1;;2*-1
• InChIKey: MBPHBPUGSREOHG-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 237.67 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2948.52
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

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 pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The IUPAC name of pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) (CID 159043893) is pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole).

What is the SMILES notation for pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The canonical SMILES for pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) is CC1C=CN=[N+]1c1[c-]cccc1.Cn1[c-]c(-c2nccn2C)c(-c2ccccc2)n1.Cn1ccnc1-c1[c-]cn(C)c1-c1ccccc1.Cn1ccnc1-c1[c-]coc1-c1ccccc1.Cn1ccnc1-c1[c-]nn(C)c1-c1ccccc1.Cn1ccnc1-c1[c-]oc(-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1nccc1-c1ccccc1.[c-]1sccc1-n1cccn1.[c-]1sccc1-n1cccn1.

What is the InChIKey of pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The InChIKey is MBPHBPUGSREOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3.C15H11N2.2C14H13N4.2C14H11N2O.C11H8N.C10H10N2.2C7H5N2S.5Ir/c1-17-10-8-13(15-16-9-11-18(15)2)14(17)12-6-4-3-5-7-12;1-3-7-13(8-4-1)15-11-12-16-17(15)14-9-5-2-6-10-14;1-17-9-8-15-14(17)12-10-18(2)16-13(12)11-6-4-3-5-7-11;1-17-9-8-15-14(17)12-10-16-18(2)13(12)11-6-4-3-5-7-11;1-16-9-8-15-14(16)12-7-10-17-13(12)11-5-3-2-4-6-11;1-16-8-7-15-14(16)12-9-13(17-10-12)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-9-7-8-11-12(9)10-5-3-2-4-6-10;2*1-3-8-9(4-1)7-2-5-10-6-7;;;;;/h3-7,9-11H,1-2H3;1-9,11-12H;2*3-9H,1-2H3;2-6,8-10H,1H3;2-9H,1H3;1-6,8-9H;2-5,7-9H,1H3;2*1-5H;;;;;/q7*-1;;2*-1;;;;;.

What are the key properties of pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) has a molecular weight of 2948.52 g/mol, XLogP of 25.61, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(iridium);1-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;2-methyl-4-(1-methylimidazol-2-yl)-5-phenyl-3H-pyrazol-3-ide;1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-2-(5-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-2-(5-phenyl-3H-furan-3-id-4-yl)imidazole;3-methyl-2-phenyl-3H-pyrazol-2-ium;5-phenyl-1-phenylpyrazole;2-phenylpyridine;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) is sourced from PubChem (CID 159043893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).