9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine

C46H32BBr3N4O2 — CID 159625851

About 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine

9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine (PubChem CID 159625851) has the molecular formula C46H32BBr3N4O2 and a molecular weight of 923.31 g/mol. Its IUPAC name is 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine.

Molecular Properties

• Compound Name: 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine
• PubChem CID: 159625851
• Molecular Formula: C46H32BBr3N4O2
• Molecular Weight: 923.31 g/mol
• Exact Mass: 920.02
• IUPAC Name: 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine
• SMILES: Brc1cncc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.Brc1cncc(Br)c1.OB(O)c1cccc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C23H15BrN2.C18H14BNO2.C5H3Br2N/c24-18-12-17(14-25-15-18)16-6-5-7-19(13-16)26-22-10-3-1-8-20(22)21-9-2-4-11-23(21)26;21-19(22)13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;6-4-1-5(7)3-8-2-4/h1-15H;1-12,21-22H;1-3H
• InChIKey: MOMAZCKKLZOEGN-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 76.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.31
LogP ≤ 5	11.68
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 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine?

The IUPAC name of 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine (CID 159625851) is 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine.

What is the SMILES notation for 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine?

The canonical SMILES for 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine is Brc1cncc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.Brc1cncc(Br)c1.OB(O)c1cccc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine?

The InChIKey is MOMAZCKKLZOEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2.C18H14BNO2.C5H3Br2N/c24-18-12-17(14-25-15-18)16-6-5-7-19(13-16)26-22-10-3-1-8-20(22)21-9-2-4-11-23(21)26;21-19(22)13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;6-4-1-5(7)3-8-2-4/h1-15H;1-12,21-22H;1-3H.

What are the key properties of 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine?

9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine has a molecular weight of 923.31 g/mol, XLogP of 11.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(5-bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine is sourced from PubChem (CID 159625851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).