4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine

C138H107BBr2N12O3 — CID 159591716

About 4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine

4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 159591716) has the molecular formula C138H107BBr2N12O3 and a molecular weight of 2152.07 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-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-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine
• PubChem CID: 159591716
• Molecular Formula: C138H107BBr2N12O3
• Molecular Weight: 2152.07 g/mol
• Exact Mass: 2148.70
• IUPAC Name: 4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine
• SMILES: CCc1nc2c3c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(Br)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2cc(-c3ccccc3NC(=O)c3ccc(Br)cc3)ccc2n1-c1ccccc1
• InChI: InChI=1S/C48H33N3.C34H32BN3O2.C28H22BrN3O.C28H20BrN3/c1-2-43-50-48-42(51(43)34-17-7-4-8-18-34)30-29-40-35-19-13-14-24-41(35)49-47(46(40)48)33-27-25-32(26-28-33)45-38-22-11-9-20-36(38)44(31-15-5-3-6-16-31)37-21-10-12-23-39(37)45;1-6-29-37-32-28(38(29)24-12-8-7-9-13-24)21-20-26-25-14-10-11-15-27(25)36-31(30(26)32)22-16-18-23(19-17-22)35-39-33(2,3)34(4,5)40-35;1-2-27-30-25-18-20(14-17-26(25)32(27)22-8-4-3-5-9-22)23-10-6-7-11-24(23)31-28(33)19-12-15-21(29)16-13-19;1-2-25-31-28-24(32(25)20-8-4-3-5-9-20)17-16-22-21-10-6-7-11-23(21)30-27(26(22)28)18-12-14-19(29)15-13-18/h3-30H,2H2,1H3;7-21H,6H2,1-5H3;3-18H,2H2,1H3,(H,31,33);3-17H,2H2,1H3
• InChIKey: MKICSDIAOZVCHV-UHFFFAOYSA-N
• XLogP: 34.84
• TPSA: 157.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.07
LogP ≤ 5	34.84
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-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-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-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine (CID 159591716) is 4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-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-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-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-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine is CCc1nc2c3c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(Br)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2cc(-c3ccccc3NC(=O)c3ccc(Br)cc3)ccc2n1-c1ccccc1.

What is the InChIKey of 4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine?

The InChIKey is MKICSDIAOZVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3.C34H32BN3O2.C28H22BrN3O.C28H20BrN3/c1-2-43-50-48-42(51(43)34-17-7-4-8-18-34)30-29-40-35-19-13-14-24-41(35)49-47(46(40)48)33-27-25-32(26-28-33)45-38-22-11-9-20-36(38)44(31-15-5-3-6-16-31)37-21-10-12-23-39(37)45;1-6-29-37-32-28(38(29)24-12-8-7-9-13-24)21-20-26-25-14-10-11-15-27(25)36-31(30(26)32)22-16-18-23(19-17-22)35-39-33(2,3)34(4,5)40-35;1-2-27-30-25-18-20(14-17-26(25)32(27)22-8-4-3-5-9-22)23-10-6-7-11-24(23)31-28(33)19-12-15-21(29)16-13-19;1-2-25-31-28-24(32(25)20-8-4-3-5-9-20)17-16-22-21-10-6-7-11-23(21)30-27(26(22)28)18-12-14-19(29)15-13-18/h3-30H,2H2,1H3;7-21H,6H2,1-5H3;3-18H,2H2,1H3,(H,31,33);3-17H,2H2,1H3.

What are the key properties of 4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine?

4-bromo-N-[2-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 2152.07 g/mol, XLogP of 34.84, 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-(2-ethyl-1-phenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]imidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 159591716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).