2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole

C56H36N4 — CID 155333469

About 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole

2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole (PubChem CID 155333469) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole.

Molecular Properties

• Compound Name: 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole
• PubChem CID: 155333469
• Molecular Formula: C56H36N4
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.29
• IUPAC Name: 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole
• SMILES: c1ccc(-c2cc(-c3c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc4c(-n5c(-c6ccccc6)nc6ccccc65)cccc34)cc3ccccc23)cc1
• InChI: InChI=1S/C56H36N4/c1-4-18-37(19-5-1)45-35-41(34-40-24-10-11-25-42(40)45)54-43-26-16-32-50(59-52-30-14-12-28-48(52)57-55(59)38-20-6-2-7-21-38)46(43)36-47-44(54)27-17-33-51(47)60-53-31-15-13-29-49(53)58-56(60)39-22-8-3-9-23-39/h1-36H
• InChIKey: LUVIMELPFVGMSM-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole?

The IUPAC name of 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole (CID 155333469) is 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole.

What is the SMILES notation for 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole?

The canonical SMILES for 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole is c1ccc(-c2cc(-c3c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc4c(-n5c(-c6ccccc6)nc6ccccc65)cccc34)cc3ccccc23)cc1.

What is the InChIKey of 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole?

The InChIKey is LUVIMELPFVGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-18-37(19-5-1)45-35-41(34-40-24-10-11-25-42(40)45)54-43-26-16-32-50(59-52-30-14-12-28-48(52)57-55(59)38-20-6-2-7-21-38)46(43)36-47-44(54)27-17-33-51(47)60-53-31-15-13-29-49(53)58-56(60)39-22-8-3-9-23-39/h1-36H.

What are the key properties of 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole?

2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole has a molecular weight of 764.93 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole is sourced from PubChem (CID 155333469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).