iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine

C40H26IrN4O-2 — CID 164824410

About iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine

iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine (PubChem CID 164824410) has the molecular formula C40H26IrN4O-2 and a molecular weight of 770.89 g/mol. Its IUPAC name is iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine.

Molecular Properties

• Compound Name: iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
• PubChem CID: 164824410
• Molecular Formula: C40H26IrN4O-2
• Molecular Weight: 770.89 g/mol
• Exact Mass: 771.17
• IUPAC Name: iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
• SMILES: Cc1cc2nc(-c3[c-]ccc4c3oc3c5ccccc5ccc43)n(-c3ccccc3)c2cn1.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C29H18N3O.C11H8N.Ir/c1-18-16-25-26(17-30-18)32(20-9-3-2-4-10-20)29(31-25)24-13-7-12-22-23-15-14-19-8-5-6-11-21(19)27(23)33-28(22)24;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-12,14-17H,1H3;1-6,8-9H;/q2*-1
• InChIKey: MTSPTRLQANFIFI-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.89
LogP ≤ 5	9.80
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-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine?

The IUPAC name of iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine (CID 164824410) is iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine.

What is the SMILES notation for iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine?

The canonical SMILES for iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine is Cc1cc2nc(-c3[c-]ccc4c3oc3c5ccccc5ccc43)n(-c3ccccc3)c2cn1.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine?

The InChIKey is MTSPTRLQANFIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N3O.C11H8N.Ir/c1-18-16-25-26(17-30-18)32(20-9-3-2-4-10-20)29(31-25)24-13-7-12-22-23-15-14-19-8-5-6-11-21(19)27(23)33-28(22)24;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-12,14-17H,1H3;1-6,8-9H;/q2*-1;.

What are the key properties of iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine?

iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine has a molecular weight of 770.89 g/mol, XLogP of 9.80, 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-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine is sourced from PubChem (CID 164824410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).