1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

C116H87BBr3N7O2 — CID 158862318

About 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (PubChem CID 158862318) has the molecular formula C116H87BBr3N7O2 and a molecular weight of 1861.54 g/mol. Its IUPAC name is 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.

Molecular Properties

• Compound Name: 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
• PubChem CID: 158862318
• Molecular Formula: C116H87BBr3N7O2
• Molecular Weight: 1861.54 g/mol
• Exact Mass: 1857.46
• IUPAC Name: 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
• SMILES: Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)[nH]c1ccccc12
• InChI: InChI=1S/C43H29N3.C25H25BN2O2.C24H16BrN.C12H8Br2.C12H9N/c1-2-10-35(11-3-1)46-42-17-9-6-14-39(42)44-43(46)34-24-22-32(23-25-34)30-18-20-31(21-19-30)33-26-28-36(29-27-33)45-40-15-7-4-12-37(40)38-13-5-8-16-41(38)45;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-29H;5-17H,1-4H3;1-16H;1-8H;1-8,13H
• InChIKey: JAUMYSJXCDEERX-UHFFFAOYSA-N
• XLogP: 31.53
• TPSA: 79.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1861.54
LogP ≤ 5	31.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?

The IUPAC name of 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (CID 158862318) is 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.

What is the SMILES notation for 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?

The canonical SMILES for 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)[nH]c1ccccc12.

What is the InChIKey of 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?

The InChIKey is JAUMYSJXCDEERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3.C25H25BN2O2.C24H16BrN.C12H8Br2.C12H9N/c1-2-10-35(11-3-1)46-42-17-9-6-14-39(42)44-43(46)34-24-22-32(23-25-34)30-18-20-31(21-19-30)33-26-28-36(29-27-33)45-40-15-7-4-12-37(40)38-13-5-8-16-41(38)45;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-29H;5-17H,1-4H3;1-16H;1-8H;1-8,13H.

What are the key properties of 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?

1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole has a molecular weight of 1861.54 g/mol, XLogP of 31.53, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 158862318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).