nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide

C154H128Ir9N29-13 — CID 157391898

About nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide

nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide (PubChem CID 157391898) has the molecular formula C154H128Ir9N29-13 and a molecular weight of 4114.87 g/mol. Its IUPAC name is nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide.

Molecular Properties

• Compound Name: nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide
• PubChem CID: 157391898
• Molecular Formula: C154H128Ir9N29-13
• Molecular Weight: 4114.87 g/mol
• Exact Mass: 4119.76
• IUPAC Name: nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide
• 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-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1cnnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cncn1.[c-]1cnccc1-n1cccn1
• InChI: InChI=1S/5C16H13N2.4C10H9N2.C9H8N3.C9H7N2.2C8H6N3.9Ir/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;2*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;4*1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4-10-11(7-1)8-2-5-9-6-3-8;1-2-4-8(5-3-1)11-7-9-6-10-11;;;;;;;;;/h2*2-10,12H,1H3;2-8,10-12H,1H3;2-11H,1H3;2-9,11-12H,1H3;4*2-5,7-8H,1H3;2-5,7H,1H3;1-5,7-8H;1-2,4-7H;1-4,6-7H;;;;;;;;;/q13*-1
• InChIKey: DYBCGHPSJBQQNA-UHFFFAOYSA-N
• XLogP: 30.39
• TPSA: 270.33 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4114.87
LogP ≤ 5	30.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide?

The IUPAC name of nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide (CID 157391898) is nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide.

What is the SMILES notation for nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide?

The canonical SMILES for nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide 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-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1cnnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cncn1.[c-]1cnccc1-n1cccn1.

What is the InChIKey of nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide?

The InChIKey is DYBCGHPSJBQQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/5C16H13N2.4C10H9N2.C9H8N3.C9H7N2.2C8H6N3.9Ir/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;2*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;4*1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4-10-11(7-1)8-2-5-9-6-3-8;1-2-4-8(5-3-1)11-7-9-6-10-11;;;;;;;;;/h2*2-10,12H,1H3;2-8,10-12H,1H3;2-11H,1H3;2-9,11-12H,1H3;4*2-5,7-8H,1H3;2-5,7H,1H3;1-5,7-8H;1-2,4-7H;1-4,6-7H;;;;;;;;;/q13*-1;;;;;;;;;.

What are the key properties of nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide?

nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide has a molecular weight of 4114.87 g/mol, XLogP of 30.39, 18 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide is sourced from PubChem (CID 157391898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).