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-(10-phenylanthracen-9-yl)phenyl]imidazo[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

C154H107BBr2N12O3 — CID 158513496

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-(10-phenylanthracen-9-yl)phenyl]imidazo[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-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-(10-phenylanthracen-9-yl)phenyl]imidazo[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 (PubChem CID 158513496) has the molecular formula C154H107BBr2N12O3 and a molecular weight of 2344.25 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-(10-phenylanthracen-9-yl)phenyl]imidazo[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.

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-(10-phenylanthracen-9-yl)phenyl]imidazo[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
• PubChem CID: 158513496
• Molecular Formula: C154H107BBr2N12O3
• Molecular Weight: 2344.25 g/mol
• Exact Mass: 2340.70
• 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-(10-phenylanthracen-9-yl)phenyl]imidazo[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
• 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(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5c5ccc6c(nc(-c7ccccc7)n6-c6ccccc6)c45)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C52H33N3.C38H32BN3O2.C32H22BrN3O.C32H20BrN3/c1-4-16-34(17-5-1)47-40-23-10-12-25-42(40)48(43-26-13-11-24-41(43)47)35-28-30-36(31-29-35)50-49-44(39-22-14-15-27-45(39)53-50)32-33-46-51(49)54-52(37-18-6-2-7-19-37)55(46)38-20-8-3-9-21-38;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/h1-33H;5-24H,1-4H3;1-21H,(H,35,37);1-20H
• InChIKey: HLIQFXZBJCUPBR-UHFFFAOYSA-N
• XLogP: 39.26
• TPSA: 157.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.25
LogP ≤ 5	39.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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-(10-phenylanthracen-9-yl)phenyl]imidazo[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?

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-(10-phenylanthracen-9-yl)phenyl]imidazo[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 (CID 158513496) 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-(10-phenylanthracen-9-yl)phenyl]imidazo[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.

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-(10-phenylanthracen-9-yl)phenyl]imidazo[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?

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-(10-phenylanthracen-9-yl)phenyl]imidazo[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 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(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5c5ccc6c(nc(-c7ccccc7)n6-c6ccccc6)c45)cc3)c3ccccc23)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-(10-phenylanthracen-9-yl)phenyl]imidazo[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?

The InChIKey is HLIQFXZBJCUPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3.C38H32BN3O2.C32H22BrN3O.C32H20BrN3/c1-4-16-34(17-5-1)47-40-23-10-12-25-42(40)48(43-26-13-11-24-41(43)47)35-28-30-36(31-29-35)50-49-44(39-22-14-15-27-45(39)53-50)32-33-46-51(49)54-52(37-18-6-2-7-19-37)55(46)38-20-8-3-9-21-38;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/h1-33H;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-(10-phenylanthracen-9-yl)phenyl]imidazo[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-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-(10-phenylanthracen-9-yl)phenyl]imidazo[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 has a molecular weight of 2344.25 g/mol, XLogP of 39.26, 17 rotatable bonds, 1 hydrogen bond donors, and 14 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-(10-phenylanthracen-9-yl)phenyl]imidazo[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 is sourced from PubChem (CID 158513496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).