2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride

C70H48BrFN4 — CID 159095754

About 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride

2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride (PubChem CID 159095754) has the molecular formula C70H48BrFN4 and a molecular weight of 1044.08 g/mol. Its IUPAC name is 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride.

Molecular Properties

• Compound Name: 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride
• PubChem CID: 159095754
• Molecular Formula: C70H48BrFN4
• Molecular Weight: 1044.08 g/mol
• Exact Mass: 1042.30
• IUPAC Name: 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride
• SMILES: Brc1cc(-c2ccccc2)cc(-c2ccccc2)n1.F.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1
• InChI: InChI=1S/C53H35N3.C17H12BrN.FH/c1-4-14-36(15-5-1)38-24-28-43(29-25-38)55-49-22-12-10-20-44(49)46-30-26-41(34-52(46)55)40-27-31-51-47(32-40)45-21-11-13-23-50(45)56(51)53-35-42(37-16-6-2-7-17-37)33-48(54-53)39-18-8-3-9-19-39;18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14;/h1-35H;1-12H;1H
• InChIKey: KCQLJMGLVZGXIJ-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1044.08
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride?

The IUPAC name of 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride (CID 159095754) is 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride.

What is the SMILES notation for 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride?

The canonical SMILES for 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride is Brc1cc(-c2ccccc2)cc(-c2ccccc2)n1.F.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1.

What is the InChIKey of 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride?

The InChIKey is KCQLJMGLVZGXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3.C17H12BrN.FH/c1-4-14-36(15-5-1)38-24-28-43(29-25-38)55-49-22-12-10-20-44(49)46-30-26-41(34-52(46)55)40-27-31-51-47(32-40)45-21-11-13-23-50(45)56(51)53-35-42(37-16-6-2-7-17-37)33-48(54-53)39-18-8-3-9-19-39;18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14;/h1-35H;1-12H;1H.

What are the key properties of 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride?

2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride has a molecular weight of 1044.08 g/mol, XLogP of 19.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride is sourced from PubChem (CID 159095754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).