1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole

C86H64BBrN8O2 — CID 160554163

About 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole

1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole (PubChem CID 160554163) has the molecular formula C86H64BBrN8O2 and a molecular weight of 1332.23 g/mol. Its IUPAC name is 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole
• PubChem CID: 160554163
• Molecular Formula: C86H64BBrN8O2
• Molecular Weight: 1332.23 g/mol
• Exact Mass: 1330.44
• IUPAC Name: 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole
• SMILES: Brc1cc(-c2ccccc2)cc(-c2cccc3c2[nH]c2ccccc23)n1.CC1(C)OB(c2cccc(-n3c4ccccc4c4cccnc43)c2)OC1(C)C.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cccnc54)c3)nc(-c3cccc4c3[nH]c3ccccc34)c2)cc1
• InChI: InChI=1S/C40H26N4.C23H23BN2O2.C23H15BrN2/c1-2-11-26(12-3-1)28-24-36(42-37(25-28)34-18-9-17-32-30-15-4-6-20-35(30)43-39(32)34)27-13-8-14-29(23-27)44-38-21-7-5-16-31(38)33-19-10-22-41-40(33)44;1-22(2)23(3,4)28-24(27-22)16-9-7-10-17(15-16)26-20-13-6-5-11-18(20)19-12-8-14-25-21(19)26;24-22-14-16(15-7-2-1-3-8-15)13-21(25-22)19-11-6-10-18-17-9-4-5-12-20(17)26-23(18)19/h1-25,43H;5-15H,1-4H3;1-14,26H
• InChIKey: QYLPZFIBINKMTQ-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 111.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1332.23
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole?

The IUPAC name of 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole (CID 160554163) is 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole.

What is the SMILES notation for 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole?

The canonical SMILES for 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole is Brc1cc(-c2ccccc2)cc(-c2cccc3c2[nH]c2ccccc23)n1.CC1(C)OB(c2cccc(-n3c4ccccc4c4cccnc43)c2)OC1(C)C.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cccnc54)c3)nc(-c3cccc4c3[nH]c3ccccc34)c2)cc1.

What is the InChIKey of 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole?

The InChIKey is QYLPZFIBINKMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4.C23H23BN2O2.C23H15BrN2/c1-2-11-26(12-3-1)28-24-36(42-37(25-28)34-18-9-17-32-30-15-4-6-20-35(30)43-39(32)34)27-13-8-14-29(23-27)44-38-21-7-5-16-31(38)33-19-10-22-41-40(33)44;1-22(2)23(3,4)28-24(27-22)16-9-7-10-17(15-16)26-20-13-6-5-11-18(20)19-12-8-14-25-21(19)26;24-22-14-16(15-7-2-1-3-8-15)13-21(25-22)19-11-6-10-18-17-9-4-5-12-20(17)26-23(18)19/h1-25,43H;5-15H,1-4H3;1-14,26H.

What are the key properties of 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole?

1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole has a molecular weight of 1332.23 g/mol, XLogP of 21.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-bromo-4-phenyl-2-pyridinyl)-9H-carbazole;9-[3-[6-(9H-carbazol-1-yl)-4-phenyl-2-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 160554163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).