7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole

C91H59Br5N10 — CID 158011398

About 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole

7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole (PubChem CID 158011398) has the molecular formula C91H59Br5N10 and a molecular weight of 1692.06 g/mol. Its IUPAC name is 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole
• PubChem CID: 158011398
• Molecular Formula: C91H59Br5N10
• Molecular Weight: 1692.06 g/mol
• Exact Mass: 1686.08
• IUPAC Name: 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole
• SMILES: Brc1ccc2c3cccnc3n(-c3ccc(-c4ccccc4)cc3)c2c1.Brc1ccc2c3cccnc3n(-c3ccccc3)c2c1.Brc1ccnc2c3ccccc3n(-c3ccccc3)c12.Brc1cncc2c3ccccc3n(-c3ccccc3)c12.Brc1nccc2c3ccccc3n(-c3ccccc3)c12
• InChI: InChI=1S/C23H15BrN2.4C17H11BrN2/c24-18-10-13-20-21-7-4-14-25-23(21)26(22(20)15-18)19-11-8-17(9-12-19)16-5-2-1-3-6-16;18-15-11-19-10-14-13-8-4-5-9-16(13)20(17(14)15)12-6-2-1-3-7-12;18-14-10-11-19-16-13-8-4-5-9-15(13)20(17(14)16)12-6-2-1-3-7-12;18-17-16-14(10-11-19-17)13-8-4-5-9-15(13)20(16)12-6-2-1-3-7-12;18-12-8-9-14-15-7-4-10-19-17(15)20(16(14)11-12)13-5-2-1-3-6-13/h1-15H;4*1-11H
• InChIKey: FEXUNIWRMWWSIQ-UHFFFAOYSA-N
• XLogP: 26.37
• TPSA: 89.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1692.06
LogP ≤ 5	26.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole?

The IUPAC name of 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole (CID 158011398) is 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole.

What is the SMILES notation for 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole?

The canonical SMILES for 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole is Brc1ccc2c3cccnc3n(-c3ccc(-c4ccccc4)cc3)c2c1.Brc1ccc2c3cccnc3n(-c3ccccc3)c2c1.Brc1ccnc2c3ccccc3n(-c3ccccc3)c12.Brc1cncc2c3ccccc3n(-c3ccccc3)c12.Brc1nccc2c3ccccc3n(-c3ccccc3)c12.

What is the InChIKey of 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole?

The InChIKey is FEXUNIWRMWWSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2.4C17H11BrN2/c24-18-10-13-20-21-7-4-14-25-23(21)26(22(20)15-18)19-11-8-17(9-12-19)16-5-2-1-3-6-16;18-15-11-19-10-14-13-8-4-5-9-16(13)20(17(14)15)12-6-2-1-3-7-12;18-14-10-11-19-16-13-8-4-5-9-15(13)20(17(14)16)12-6-2-1-3-7-12;18-17-16-14(10-11-19-17)13-8-4-5-9-15(13)20(16)12-6-2-1-3-7-12;18-12-8-9-14-15-7-4-10-19-17(15)20(16(14)11-12)13-5-2-1-3-6-13/h1-15H;4*1-11H.

What are the key properties of 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole?

7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole has a molecular weight of 1692.06 g/mol, XLogP of 26.37, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 158011398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).