2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline

C132H87N9 — CID 158321652

About 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline

2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline (PubChem CID 158321652) has the molecular formula C132H87N9 and a molecular weight of 1799.21 g/mol. Its IUPAC name is 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
• PubChem CID: 158321652
• Molecular Formula: C132H87N9
• Molecular Weight: 1799.21 g/mol
• Exact Mass: 1797.71
• IUPAC Name: 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
• SMILES: c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)nc3c3ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nc3c3ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccc4)nc3c3ccccc23)cc1
• InChI: InChI=1S/3C44H29N3/c1-5-15-30(16-6-1)37-28-39-38(31-17-7-2-8-18-31)29-40(45-43(39)36-24-14-13-23-35(36)37)33-25-26-42-41(27-33)46-44(32-19-9-3-10-20-32)47(42)34-21-11-4-12-22-34;1-4-14-30(15-5-1)37-28-39-38(31-16-6-2-7-17-31)29-41(45-43(39)36-21-11-10-20-35(36)37)32-24-26-33(27-25-32)44-46-40-22-12-13-23-42(40)47(44)34-18-8-3-9-19-34;1-4-14-30(15-5-1)37-28-39-38(31-16-6-2-7-17-31)29-41(45-43(39)36-21-11-10-20-35(36)37)32-24-26-34(27-25-32)47-42-23-13-12-22-40(42)46-44(47)33-18-8-3-9-19-33/h3*1-29H
• InChIKey: GOXOGYTZDIZMLH-UHFFFAOYSA-N
• XLogP: 34.18
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1799.21
LogP ≤ 5	34.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline?

The IUPAC name of 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline (CID 158321652) is 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline.

What is the SMILES notation for 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline?

The canonical SMILES for 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline is c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)nc3c3ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nc3c3ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccc4)nc3c3ccccc23)cc1.

What is the InChIKey of 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline?

The InChIKey is GOXOGYTZDIZMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H29N3/c1-5-15-30(16-6-1)37-28-39-38(31-17-7-2-8-18-31)29-40(45-43(39)36-24-14-13-23-35(36)37)33-25-26-42-41(27-33)46-44(32-19-9-3-10-20-32)47(42)34-21-11-4-12-22-34;1-4-14-30(15-5-1)37-28-39-38(31-16-6-2-7-17-31)29-41(45-43(39)36-21-11-10-20-35(36)37)32-24-26-33(27-25-32)44-46-40-22-12-13-23-42(40)47(44)34-18-8-3-9-19-34;1-4-14-30(15-5-1)37-28-39-38(31-16-6-2-7-17-31)29-41(45-43(39)36-21-11-10-20-35(36)37)32-24-26-34(27-25-32)47-42-23-13-12-22-40(42)46-44(47)33-18-8-3-9-19-33/h3*1-29H.

What are the key properties of 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline?

2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline has a molecular weight of 1799.21 g/mol, XLogP of 34.18, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 158321652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).