9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C96H75BBr2N9O2- — CID 158207776

About 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 158207776) has the molecular formula C96H75BBr2N9O2- and a molecular weight of 1557.34 g/mol. Its IUPAC name is 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
• PubChem CID: 158207776
• Molecular Formula: C96H75BBr2N9O2-
• Molecular Weight: 1557.34 g/mol
• Exact Mass: 1554.45
• IUPAC Name: 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
• SMILES: Brc1cccc(-n2c3ccccc3c3ccccc32)c1.Brc1cncc(-c2nc3ccccc3n2-c2ccccc2)c1.CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.[H-].[H][H].c1ccc(-n2c(-c3cncc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccccc32)cc1
• InChI: InChI=1S/C36H24N4.C24H24BNO2.C18H12BrN3.C18H12BrN.H2.H/c1-2-12-28(13-3-1)40-35-20-9-6-17-32(35)38-36(40)27-21-26(23-37-24-27)25-11-10-14-29(22-25)39-33-18-7-4-15-30(33)31-16-5-8-19-34(31)39;1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;19-14-10-13(11-20-12-14)18-21-16-8-4-5-9-17(16)22(18)15-6-2-1-3-7-15;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;;/h1-24H;5-16H,1-4H3;1-12H;1-12H;1H;/q;;;;;-1
• InChIKey: GBRWJTMCVNGOIF-UHFFFAOYSA-N
• XLogP: 24.69
• TPSA: 94.67 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1557.34
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?

The IUPAC name of 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 158207776) is 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

What is the SMILES notation for 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?

The canonical SMILES for 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is Brc1cccc(-n2c3ccccc3c3ccccc32)c1.Brc1cncc(-c2nc3ccccc3n2-c2ccccc2)c1.CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.[H-].[H][H].c1ccc(-n2c(-c3cncc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccccc32)cc1.

What is the InChIKey of 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?

The InChIKey is GBRWJTMCVNGOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4.C24H24BNO2.C18H12BrN3.C18H12BrN.H2.H/c1-2-12-28(13-3-1)40-35-20-9-6-17-32(35)38-36(40)27-21-26(23-37-24-27)25-11-10-14-29(22-25)39-33-18-7-4-15-30(33)31-16-5-8-19-34(31)39;1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;19-14-10-13(11-20-12-14)18-21-16-8-4-5-9-17(16)22(18)15-6-2-1-3-7-15;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;;/h1-24H;5-16H,1-4H3;1-12H;1-12H;1H;/q;;;;;-1.

What are the key properties of 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?

9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 1557.34 g/mol, XLogP of 24.69, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-bromophenyl)carbazole;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;hydride;molecular hydrogen;9-[3-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]phenyl]carbazole;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 158207776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).