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

C38H22FIrN5O-2 — CID 164826269

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

2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine (PubChem CID 164826269) has the molecular formula C38H22FIrN5O-2 and a molecular weight of 775.84 g/mol. Its IUPAC name is 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine.

Molecular Properties

• Compound Name: 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine
• PubChem CID: 164826269
• Molecular Formula: C38H22FIrN5O-2
• Molecular Weight: 775.84 g/mol
• Exact Mass: 776.14
• IUPAC Name: 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine
• SMILES: Fc1ccc2c(c1)oc1c(-c3nc4c5ccccc5nnc4n3-c3ccccc3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C27H14FN4O.C11H8N.Ir/c28-16-13-14-18-19-10-6-11-21(25(19)33-23(18)15-16)26-29-24-20-9-4-5-12-22(20)30-31-27(24)32(26)17-7-2-1-3-8-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-10,12-15H;1-6,8-9H;/q2*-1
• InChIKey: UIYDVHXCCXPFNZ-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.84
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine?

The IUPAC name of 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine (CID 164826269) is 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine.

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

The canonical SMILES for 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine is Fc1ccc2c(c1)oc1c(-c3nc4c5ccccc5nnc4n3-c3ccccc3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1.

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

The InChIKey is UIYDVHXCCXPFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14FN4O.C11H8N.Ir/c28-16-13-14-18-19-10-6-11-21(25(19)33-23(18)15-16)26-29-24-20-9-4-5-12-22(20)30-31-27(24)32(26)17-7-2-1-3-8-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-10,12-15H;1-6,8-9H;/q2*-1;.

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

2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine has a molecular weight of 775.84 g/mol, XLogP of 9.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine is sourced from PubChem (CID 164826269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).