2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid

C101H67BBrN11O2 — CID 159100992

About 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid

2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid (PubChem CID 159100992) has the molecular formula C101H67BBrN11O2 and a molecular weight of 1557.44 g/mol. Its IUPAC name is 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid.

Molecular Properties

• Compound Name: 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid
• PubChem CID: 159100992
• Molecular Formula: C101H67BBrN11O2
• Molecular Weight: 1557.44 g/mol
• Exact Mass: 1555.48
• IUPAC Name: 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid
• SMILES: Brc1ccc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5cccnc54)c3)n2)cc1
• InChI: InChI=1S/C50H32N6.C33H21BrN4.C18H14BNO2/c1-4-14-33(15-5-1)47-52-48(34-16-6-2-7-17-34)54-49(53-47)37-18-12-21-39(30-37)56-46-32-36(25-27-41(46)42-23-13-29-51-50(42)56)35-26-28-45-43(31-35)40-22-10-11-24-44(40)55(45)38-19-8-3-9-20-38;34-25-18-19-28-27-16-7-8-17-29(27)38(30(28)21-25)26-15-9-14-24(20-26)33-36-31(22-10-3-1-4-11-22)35-32(37-33)23-12-5-2-6-13-23;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-32H;1-21H;1-12,21-22H
• InChIKey: KDGWYMUKENCOGM-UHFFFAOYSA-N
• XLogP: 23.32
• TPSA: 150.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1557.44
LogP ≤ 5	23.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid?

The IUPAC name of 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid (CID 159100992) is 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid.

What is the SMILES notation for 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid?

The canonical SMILES for 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid is Brc1ccc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5cccnc54)c3)n2)cc1.

What is the InChIKey of 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid?

The InChIKey is KDGWYMUKENCOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6.C33H21BrN4.C18H14BNO2/c1-4-14-33(15-5-1)47-52-48(34-16-6-2-7-17-34)54-49(53-47)37-18-12-21-39(30-37)56-46-32-36(25-27-41(46)42-23-13-29-51-50(42)56)35-26-28-45-43(31-35)40-22-10-11-24-44(40)55(45)38-19-8-3-9-20-38;34-25-18-19-28-27-16-7-8-17-29(27)38(30(28)21-25)26-15-9-14-24(20-26)33-36-31(22-10-3-1-4-11-22)35-32(37-33)23-12-5-2-6-13-23;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-32H;1-21H;1-12,21-22H.

What are the key properties of 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid?

2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid has a molecular weight of 1557.44 g/mol, XLogP of 23.32, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid is sourced from PubChem (CID 159100992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).