2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine

C38H23FIrN2O-2 — CID 165386052

About 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine

2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine (PubChem CID 165386052) has the molecular formula C38H23FIrN2O-2 and a molecular weight of 734.83 g/mol. Its IUPAC name is 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine.

Molecular Properties

• Compound Name: 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
• PubChem CID: 165386052
• Molecular Formula: C38H23FIrN2O-2
• Molecular Weight: 734.83 g/mol
• Exact Mass: 735.14
• IUPAC Name: 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
• SMILES: Fc1ccc2c(oc3c(-c4ccccn4)[c-]ccc32)c1-c1cccc2ccccc12.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C27H15FNO.C11H8N.Ir/c28-23-15-14-21-20-11-6-12-22(24-13-3-4-16-29-24)26(20)30-27(21)25(23)19-10-5-8-17-7-1-2-9-18(17)19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-11,13-16H;1-6,8-9H;/q2*-1
• InChIKey: QXTNMFVQIWLXTA-UHFFFAOYSA-N
• XLogP: 9.95
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.83
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?

The IUPAC name of 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine (CID 165386052) is 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine.

What is the SMILES notation for 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?

The canonical SMILES for 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine is Fc1ccc2c(oc3c(-c4ccccn4)[c-]ccc32)c1-c1cccc2ccccc12.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?

The InChIKey is QXTNMFVQIWLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15FNO.C11H8N.Ir/c28-23-15-14-21-20-11-6-12-22(24-13-3-4-16-29-24)26(20)30-27(21)25(23)19-10-5-8-17-7-1-2-9-18(17)19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-11,13-16H;1-6,8-9H;/q2*-1;.

What are the key properties of 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?

2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine has a molecular weight of 734.83 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 165386052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).