2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine

C36H23FIrN4O-2 — CID 164827018

About 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine

2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine (PubChem CID 164827018) has the molecular formula C36H23FIrN4O-2 and a molecular weight of 738.82 g/mol. Its IUPAC name is 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine.

Molecular Properties

• Compound Name: 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
• PubChem CID: 164827018
• Molecular Formula: C36H23FIrN4O-2
• Molecular Weight: 738.82 g/mol
• Exact Mass: 739.15
• IUPAC Name: 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
• SMILES: Cc1cc2c(cn1)nc(-c1[c-]ccc3c1oc1cc(F)ccc13)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C25H15FN3O.C11H8N.Ir/c1-15-12-22-21(14-27-15)28-25(29(22)17-6-3-2-4-7-17)20-9-5-8-19-18-11-10-16(26)13-23(18)30-24(19)20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-14H,1H3;1-6,8-9H;/q2*-1
• InChIKey: CKJISMXNZBZAPR-UHFFFAOYSA-N
• XLogP: 8.78
• 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	738.82
LogP ≤ 5	8.78
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 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine?

The IUPAC name of 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine (CID 164827018) is 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine.

What is the SMILES notation for 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine?

The canonical SMILES for 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine is Cc1cc2c(cn1)nc(-c1[c-]ccc3c1oc1cc(F)ccc13)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine?

The InChIKey is CKJISMXNZBZAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN3O.C11H8N.Ir/c1-15-12-22-21(14-27-15)28-25(29(22)17-6-3-2-4-7-17)20-9-5-8-19-18-11-10-16(26)13-23(18)30-24(19)20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-14H,1H3;1-6,8-9H;/q2*-1;.

What are the key properties of 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine?

2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine has a molecular weight of 738.82 g/mol, XLogP of 8.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 164827018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).