4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine

C146H101BBr2N14O3 — CID 158153967

About 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine

4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine (PubChem CID 158153967) has the molecular formula C146H101BBr2N14O3 and a molecular weight of 2270.13 g/mol. Its IUPAC name is 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
• PubChem CID: 158153967
• Molecular Formula: C146H101BBr2N14O3
• Molecular Weight: 2270.13 g/mol
• Exact Mass: 2266.66
• IUPAC Name: 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
• SMILES: Brc1ccc(-c2nc3ccccc3c3ccc4c(nc(-c5ccccc5)n4-c4ccccc4)c23)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)cc2)OC1(C)C.O=C(Nc1ccccc1-c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1)c1ccc(Br)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1
• InChI: InChI=1S/C44H27N5.C38H32BN3O2.C32H22BrN3O.C32H20BrN3/c1-3-10-32(11-4-1)44-48-43-38(49(44)33-13-5-2-6-14-33)26-24-35-34-15-7-8-16-37(34)47-40(39(35)43)30-19-17-28(18-20-30)36-25-23-31-22-21-29-12-9-27-45-41(29)42(31)46-36;1-37(2)38(3,4)44-39(43-37)27-21-19-25(20-22-27)34-33-30(29-17-11-12-18-31(29)40-34)23-24-32-35(33)41-36(26-13-7-5-8-14-26)42(32)28-15-9-6-10-16-28;33-25-18-15-23(16-19-25)32(37)35-28-14-8-7-13-27(28)24-17-20-30-29(21-24)34-31(22-9-3-1-4-10-22)36(30)26-11-5-2-6-12-26;33-23-17-15-21(16-18-23)30-29-26(25-13-7-8-14-27(25)34-30)19-20-28-31(29)35-32(22-9-3-1-4-10-22)36(28)24-11-5-2-6-12-24/h1-27H;5-24H,1-4H3;1-21H,(H,35,37);1-20H
• InChIKey: FVLOWWXKFDYJGS-UHFFFAOYSA-N
• XLogP: 36.38
• TPSA: 183.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.13
LogP ≤ 5	36.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The IUPAC name of 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine (CID 158153967) is 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine.

What is the SMILES notation for 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The canonical SMILES for 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine is Brc1ccc(-c2nc3ccccc3c3ccc4c(nc(-c5ccccc5)n4-c4ccccc4)c23)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)cc2)OC1(C)C.O=C(Nc1ccccc1-c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1)c1ccc(Br)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.

What is the InChIKey of 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The InChIKey is FVLOWWXKFDYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5.C38H32BN3O2.C32H22BrN3O.C32H20BrN3/c1-3-10-32(11-4-1)44-48-43-38(49(44)33-13-5-2-6-14-33)26-24-35-34-15-7-8-16-37(34)47-40(39(35)43)30-19-17-28(18-20-30)36-25-23-31-22-21-29-12-9-27-45-41(29)42(31)46-36;1-37(2)38(3,4)44-39(43-37)27-21-19-25(20-22-27)34-33-30(29-17-11-12-18-31(29)40-34)23-24-32-35(33)41-36(26-13-7-5-8-14-26)42(32)28-15-9-6-10-16-28;33-25-18-15-23(16-19-25)32(37)35-28-14-8-7-13-27(28)24-17-20-30-29(21-24)34-31(22-9-3-1-4-10-22)36(30)26-11-5-2-6-12-26;33-23-17-15-21(16-18-23)30-29-26(25-13-7-8-14-27(25)34-30)19-20-28-31(29)35-32(22-9-3-1-4-10-22)36(28)24-11-5-2-6-12-24/h1-27H;5-24H,1-4H3;1-21H,(H,35,37);1-20H.

What are the key properties of 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine has a molecular weight of 2270.13 g/mol, XLogP of 36.38, 16 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine is sourced from PubChem (CID 158153967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).