iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine

C37H26IrN4O-2 — CID 164825769

About iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine

iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine (PubChem CID 164825769) has the molecular formula C37H26IrN4O-2 and a molecular weight of 734.86 g/mol. Its IUPAC name is iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine.

Molecular Properties

• Compound Name: iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
• PubChem CID: 164825769
• Molecular Formula: C37H26IrN4O-2
• Molecular Weight: 734.86 g/mol
• Exact Mass: 735.17
• IUPAC Name: iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
• SMILES: Cc1cc2c(cn1)nc(-c1[c-]cc(C)c3c1oc1ccccc13)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C26H18N3O.C11H8N.Ir/c1-16-12-13-20(25-24(16)19-10-6-7-11-23(19)30-25)26-28-21-15-27-17(2)14-22(21)29(26)18-8-4-3-5-9-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-12,14-15H,1-2H3;1-6,8-9H;/q2*-1
• InChIKey: OWDXMCYOLXSTJD-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.86
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine?

The IUPAC name of iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine (CID 164825769) is iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine.

What is the SMILES notation for iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine?

The canonical SMILES for iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine is Cc1cc2c(cn1)nc(-c1[c-]cc(C)c3c1oc1ccccc13)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine?

The InChIKey is OWDXMCYOLXSTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N3O.C11H8N.Ir/c1-16-12-13-20(25-24(16)19-10-6-7-11-23(19)30-25)26-28-21-15-27-17(2)14-22(21)29(26)18-8-4-3-5-9-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-12,14-15H,1-2H3;1-6,8-9H;/q2*-1;.

What are the key properties of iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine?

iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine has a molecular weight of 734.86 g/mol, XLogP of 8.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine is sourced from PubChem (CID 164825769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).