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

C104H78BBrN6O2 — CID 159553433

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

2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole (PubChem CID 159553433) has the molecular formula C104H78BBrN6O2 and a molecular weight of 1534.52 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
• PubChem CID: 159553433
• Molecular Formula: C104H78BBrN6O2
• Molecular Weight: 1534.52 g/mol
• Exact Mass: 1532.55
• IUPAC Name: 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
• SMILES: Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)OC1(C)C.c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C49H33N3.C30H28BNO2.C25H17BrN2/c1-2-10-41(11-3-1)52-48-17-9-6-14-45(48)50-49(52)40-28-26-38(27-29-40)36-20-18-34(19-21-36)35-22-24-37(25-23-35)39-30-32-42(33-31-39)51-46-15-7-4-12-43(46)44-13-5-8-16-47(44)51;1-29(2)30(3,4)34-31(33-29)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32-27-11-7-5-9-25(27)26-10-6-8-12-28(26)32;26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22/h1-33H;5-20H,1-4H3;1-17H
• InChIKey: MFRNGQCOVMSYFQ-UHFFFAOYSA-N
• XLogP: 26.66
• TPSA: 63.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1534.52
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	0
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 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?

The IUPAC name of 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole (CID 159553433) is 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole is Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)OC1(C)C.c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc3)nc3ccccc32)cc1.

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

The InChIKey is MFRNGQCOVMSYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3.C30H28BNO2.C25H17BrN2/c1-2-10-41(11-3-1)52-48-17-9-6-14-45(48)50-49(52)40-28-26-38(27-29-40)36-20-18-34(19-21-36)35-22-24-37(25-23-35)39-30-32-42(33-31-39)51-46-15-7-4-12-43(46)44-13-5-8-16-47(44)51;1-29(2)30(3,4)34-31(33-29)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32-27-11-7-5-9-25(27)26-10-6-8-12-28(26)32;26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22/h1-33H;5-20H,1-4H3;1-17H.

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

2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole has a molecular weight of 1534.52 g/mol, XLogP of 26.66, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 159553433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).