pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole

C83H68Ir5N12-6 — CID 161409759

About pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole

pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole (PubChem CID 161409759) has the molecular formula C83H68Ir5N12-6 and a molecular weight of 2194.63 g/mol. Its IUPAC name is pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole.

Molecular Properties

• Compound Name: pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole
• PubChem CID: 161409759
• Molecular Formula: C83H68Ir5N12-6
• Molecular Weight: 2194.63 g/mol
• Exact Mass: 2197.39
• IUPAC Name: pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole
• SMILES: Cn1c(-c2ccccc2)cnc1-c1[c-]cccc1.Cn1cc(-c2ccccc2)nc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]c(-c2ccccc2)ccc1.Cn1ccnc1-c1[c-]cc(-c2ccccc2)cc1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/4C16H13N2.C10H9N2.C9H7N2.5Ir/c1-18-12-15(13-8-4-2-5-9-13)17-16(18)14-10-6-3-7-11-14;1-18-15(13-8-4-2-5-9-13)12-17-16(18)14-10-6-3-7-11-14;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-18-12-11-17-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;/h2*2-10,12H,1H3;2-11H,1H3;2-9,11-12H,1H3;2-5,7-8H,1H3;1-5,7-8H;;;;;/q6*-1
• InChIKey: QWHXZLKWSSKGIO-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.63
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole?

The IUPAC name of pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole (CID 161409759) is pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole.

What is the SMILES notation for pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole?

The canonical SMILES for pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole is Cn1c(-c2ccccc2)cnc1-c1[c-]cccc1.Cn1cc(-c2ccccc2)nc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]c(-c2ccccc2)ccc1.Cn1ccnc1-c1[c-]cc(-c2ccccc2)cc1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1.

What is the InChIKey of pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole?

The InChIKey is QWHXZLKWSSKGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H13N2.C10H9N2.C9H7N2.5Ir/c1-18-12-15(13-8-4-2-5-9-13)17-16(18)14-10-6-3-7-11-14;1-18-15(13-8-4-2-5-9-13)12-17-16(18)14-10-6-3-7-11-14;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-18-12-11-17-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;/h2*2-10,12H,1H3;2-11H,1H3;2-9,11-12H,1H3;2-5,7-8H,1H3;1-5,7-8H;;;;;/q6*-1;;;;;.

What are the key properties of pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole?

pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole has a molecular weight of 2194.63 g/mol, XLogP of 17.76, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole is sourced from PubChem (CID 161409759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).