5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole)

C117H97B2Br2N7O4 — CID 158331438

About 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole)

5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole) (PubChem CID 158331438) has the molecular formula C117H97B2Br2N7O4 and a molecular weight of 1846.54 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole).

Molecular Properties

• Compound Name: 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole)
• PubChem CID: 158331438
• Molecular Formula: C117H97B2Br2N7O4
• Molecular Weight: 1846.54 g/mol
• Exact Mass: 1843.62
• IUPAC Name: 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole)
• SMILES: Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1cccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)c1.CC1(C)OB(c2cccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)c2)OC1(C)C
• InChI: InChI=1S/2C31H29BN2O2.C30H22BrN.C25H17BrN2/c2*1-30(2)31(3,4)36-32(35-30)25-15-11-14-23(20-25)24-18-19-28-27(21-24)33-29(22-12-7-5-8-13-22)34(28)26-16-9-6-10-17-26;31-27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;26-21-11-7-10-19(16-21)20-14-15-24-23(17-20)27-25(18-8-3-1-4-9-18)28(24)22-12-5-2-6-13-22/h2*5-21H,1-4H3;1-22H;1-17H
• InChIKey: GQBDZGQMBWYSRV-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 93.62 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1846.54
LogP ≤ 5	29.69
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 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole)?

The IUPAC name of 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole) (CID 158331438) is 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole).

What is the SMILES notation for 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole)?

The canonical SMILES for 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole) is Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1cccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)c1.CC1(C)OB(c2cccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)c2)OC1(C)C.

What is the InChIKey of 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole)?

The InChIKey is GQBDZGQMBWYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H29BN2O2.C30H22BrN.C25H17BrN2/c2*1-30(2)31(3,4)36-32(35-30)25-15-11-14-23(20-25)24-18-19-28-27(21-24)33-29(22-12-7-5-8-13-22)34(28)26-16-9-6-10-17-26;31-27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;26-21-11-7-10-19(16-21)20-14-15-24-23(17-20)27-25(18-8-3-1-4-9-18)28(24)22-12-5-2-6-13-22/h2*5-21H,1-4H3;1-22H;1-17H.

What are the key properties of 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole)?

5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole) has a molecular weight of 1846.54 g/mol, XLogP of 29.69, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-bromophenyl)-1,2-diphenylbenzimidazole;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;bis(1,2-diphenyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole) is sourced from PubChem (CID 158331438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).