2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine

C40H25BrN2 — CID 156554605

About 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine

2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine (PubChem CID 156554605) has the molecular formula C40H25BrN2 and a molecular weight of 613.56 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine.

Molecular Properties

• Compound Name: 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine
• PubChem CID: 156554605
• Molecular Formula: C40H25BrN2
• Molecular Weight: 613.56 g/mol
• Exact Mass: 612.12
• IUPAC Name: 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine
• SMILES: Brc1cccc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc(-c3ccccc3)n2)n1
• InChI: InChI=1S/C40H25BrN2/c41-40-20-10-19-37(43-40)39-25-28(24-38(42-39)26-11-2-1-3-12-26)27-21-22-35-33-17-7-6-15-31(33)29-13-4-5-14-30(29)32-16-8-9-18-34(32)36(35)23-27/h1-25H/b31-29-,32-30-,35-33-,36-34-
• InChIKey: JXHJRSLVJLFOAG-FWNWMOKYSA-N
• XLogP: 11.22
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.56
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine?

The IUPAC name of 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine (CID 156554605) is 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine.

What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine?

The canonical SMILES for 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine is Brc1cccc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc(-c3ccccc3)n2)n1.

What is the InChIKey of 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine?

The InChIKey is JXHJRSLVJLFOAG-FWNWMOKYSA-N. The full InChI is InChI=1S/C40H25BrN2/c41-40-20-10-19-37(43-40)39-25-28(24-38(42-39)26-11-2-1-3-12-26)27-21-22-35-33-17-7-6-15-31(33)29-13-4-5-14-30(29)32-16-8-9-18-34(32)36(35)23-27/h1-25H/b31-29-,32-30-,35-33-,36-34-.

What are the key properties of 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine?

2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine has a molecular weight of 613.56 g/mol, XLogP of 11.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine is sourced from PubChem (CID 156554605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).