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-(2-phenylimidazo[1,2-a]pyridin-6-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

C147H103BBr2N14O3 — CID 162061383

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-(2-phenylimidazo[1,2-a]pyridin-6-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-(2-phenylimidazo[1,2-a]pyridin-6-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 162061383) has the molecular formula C147H103BBr2N14O3 and a molecular weight of 2284.16 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-(2-phenylimidazo[1,2-a]pyridin-6-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-(2-phenylimidazo[1,2-a]pyridin-6-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: 162061383
• Molecular Formula: C147H103BBr2N14O3
• Molecular Weight: 2284.16 g/mol
• Exact Mass: 2280.68
• 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-(2-phenylimidazo[1,2-a]pyridin-6-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(-c2cn3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)ccc3n2)cc1
• InChI: InChI=1S/C45H29N5.C38H32BN3O2.C32H22BrN3O.C32H20BrN3/c1-4-12-31(13-5-1)39-29-49-28-34(24-27-41(49)46-39)30-20-22-32(23-21-30)43-42-37(36-18-10-11-19-38(36)47-43)25-26-40-44(42)48-45(33-14-6-2-7-15-33)50(40)35-16-8-3-9-17-35;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/h1-29H;5-24H,1-4H3;1-21H,(H,35,37);1-20H
• InChIKey: YZWSGYICFTWUCD-UHFFFAOYSA-N
• XLogP: 36.60
• TPSA: 174.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2284.16
LogP ≤ 5	36.60
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-(2-phenylimidazo[1,2-a]pyridin-6-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-(2-phenylimidazo[1,2-a]pyridin-6-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 162061383) 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-(2-phenylimidazo[1,2-a]pyridin-6-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-(2-phenylimidazo[1,2-a]pyridin-6-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-(2-phenylimidazo[1,2-a]pyridin-6-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(-c2cn3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)ccc3n2)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-(2-phenylimidazo[1,2-a]pyridin-6-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 YZWSGYICFTWUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5.C38H32BN3O2.C32H22BrN3O.C32H20BrN3/c1-4-12-31(13-5-1)39-29-49-28-34(24-27-41(49)46-39)30-20-22-32(23-21-30)43-42-37(36-18-10-11-19-38(36)47-43)25-26-40-44(42)48-45(33-14-6-2-7-15-33)50(40)35-16-8-3-9-17-35;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/h1-29H;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-(2-phenylimidazo[1,2-a]pyridin-6-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-(2-phenylimidazo[1,2-a]pyridin-6-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 2284.16 g/mol, XLogP of 36.60, 17 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-(2-phenylimidazo[1,2-a]pyridin-6-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 162061383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).