2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine

C56H38BBrF4N4O2 — CID 159079771

About 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine

2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine (PubChem CID 159079771) has the molecular formula C56H38BBrF4N4O2 and a molecular weight of 965.65 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine
• PubChem CID: 159079771
• Molecular Formula: C56H38BBrF4N4O2
• Molecular Weight: 965.65 g/mol
• Exact Mass: 964.22
• IUPAC Name: 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine
• SMILES: Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccn3)n2)cc1.Fc1ccc(F)c(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccn4)n3)cc2)c1.OB(O)c1cc(F)ccc1F
• InChI: InChI=1S/C28H18F2N2.C22H15BrN2.C6H5BF2O2/c29-23-13-14-25(30)24(18-23)20-9-11-21(12-10-20)27-16-22(19-6-2-1-3-7-19)17-28(32-27)26-8-4-5-15-31-26;23-19-11-9-17(10-12-19)21-14-18(16-6-2-1-3-7-16)15-22(25-21)20-8-4-5-13-24-20;8-4-1-2-6(9)5(3-4)7(10)11/h1-18H;1-15H;1-3,10-11H
• InChIKey: KASBDGMHKOXUTR-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 92.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.65
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine?

The IUPAC name of 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine (CID 159079771) is 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine.

What is the SMILES notation for 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine?

The canonical SMILES for 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine is Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccn3)n2)cc1.Fc1ccc(F)c(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccn4)n3)cc2)c1.OB(O)c1cc(F)ccc1F.

What is the InChIKey of 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine?

The InChIKey is KASBDGMHKOXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F2N2.C22H15BrN2.C6H5BF2O2/c29-23-13-14-25(30)24(18-23)20-9-11-21(12-10-20)27-16-22(19-6-2-1-3-7-19)17-28(32-27)26-8-4-5-15-31-26;23-19-11-9-17(10-12-19)21-14-18(16-6-2-1-3-7-16)15-22(25-21)20-8-4-5-13-24-20;8-4-1-2-6(9)5(3-4)7(10)11/h1-18H;1-15H;1-3,10-11H.

What are the key properties of 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine?

2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine has a molecular weight of 965.65 g/mol, XLogP of 13.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4-phenyl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 159079771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).