2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine

C133H99N15 — CID 160532793

About 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine

2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 160532793) has the molecular formula C133H99N15 and a molecular weight of 1907.36 g/mol. Its IUPAC name is 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
• PubChem CID: 160532793
• Molecular Formula: C133H99N15
• Molecular Weight: 1907.36 g/mol
• Exact Mass: 1905.82
• IUPAC Name: 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
• SMILES: CCc1nc2c3c(-c4ccc(-c5cccc(-n6c(-c7ccccc7)nc7ccccc76)c5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3nc4ccccc4c4ccc5c(nc(CC)n5-c5ccccc5)c34)cc2)cc1.CCc1nc2ccccc2n1-c1cccc(-c2ccc(-c3nc4ccccc4c4ccc5c(nc(CC)n5-c5ccccc5)c34)cc2)c1
• InChI: InChI=1S/C47H33N5.2C43H33N5/c1-2-43-50-46-42(51(43)35-17-7-4-8-18-35)29-28-38-37-20-9-10-21-39(37)48-45(44(38)46)32-26-24-31(25-27-32)34-16-13-19-36(30-34)52-41-23-12-11-22-40(41)49-47(52)33-14-5-3-6-15-33;1-3-39-44-36-19-10-11-20-37(36)48(39)32-16-12-13-30(27-32)28-21-23-29(24-22-28)42-41-34(33-17-8-9-18-35(33)45-42)25-26-38-43(41)46-40(4-2)47(38)31-14-6-5-7-15-31;1-3-39-44-36-16-10-11-17-37(36)47(39)32-24-22-29(23-25-32)28-18-20-30(21-19-28)42-41-34(33-14-8-9-15-35(33)45-42)26-27-38-43(41)46-40(4-2)48(38)31-12-6-5-7-13-31/h3-30H,2H2,1H3;2*5-27H,3-4H2,1-2H3
• InChIKey: QVTQPMABYCYBNH-UHFFFAOYSA-N
• XLogP: 32.68
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.36
LogP ≤ 5	32.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

The IUPAC name of 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine (CID 160532793) is 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine.

What is the SMILES notation for 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

The canonical SMILES for 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine is CCc1nc2c3c(-c4ccc(-c5cccc(-n6c(-c7ccccc7)nc7ccccc76)c5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3nc4ccccc4c4ccc5c(nc(CC)n5-c5ccccc5)c34)cc2)cc1.CCc1nc2ccccc2n1-c1cccc(-c2ccc(-c3nc4ccccc4c4ccc5c(nc(CC)n5-c5ccccc5)c34)cc2)c1.

What is the InChIKey of 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

The InChIKey is QVTQPMABYCYBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5.2C43H33N5/c1-2-43-50-46-42(51(43)35-17-7-4-8-18-35)29-28-38-37-20-9-10-21-39(37)48-45(44(38)46)32-26-24-31(25-27-32)34-16-13-19-36(30-34)52-41-23-12-11-22-40(41)49-47(52)33-14-5-3-6-15-33;1-3-39-44-36-19-10-11-20-37(36)48(39)32-16-12-13-30(27-32)28-21-23-29(24-22-28)42-41-34(33-17-8-9-18-35(33)45-42)25-26-38-43(41)46-40(4-2)47(38)31-14-6-5-7-15-31;1-3-39-44-36-16-10-11-17-37(36)47(39)32-24-22-29(23-25-32)28-18-20-30(21-19-28)42-41-34(33-14-8-9-15-35(33)45-42)26-27-38-43(41)46-40(4-2)48(38)31-12-6-5-7-13-31/h3-30H,2H2,1H3;2*5-27H,3-4H2,1-2H3.

What are the key properties of 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 1907.36 g/mol, XLogP of 32.68, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 160532793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).