2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole

C56H38N4 — CID 153271176

About 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole

2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole (PubChem CID 153271176) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole.

Molecular Properties

• Compound Name: 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
• PubChem CID: 153271176
• Molecular Formula: C56H38N4
• Molecular Weight: 766.95 g/mol
• Exact Mass: 766.31
• IUPAC Name: 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
• SMILES: c1ccc(-c2ccc3cccc(-c4c5cccc(N6c7ccccc7NC6c6ccccc6)c5cc5c(-n6c(-c7ccccc7)nc7ccccc76)cccc45)c3c2)cc1
• InChI: InChI=1S/C56H38N4/c1-4-17-37(18-5-1)41-34-33-38-23-14-24-42(45(38)35-41)54-43-25-15-31-50(59-52-29-12-10-27-48(52)57-55(59)39-19-6-2-7-20-39)46(43)36-47-44(54)26-16-32-51(47)60-53-30-13-11-28-49(53)58-56(60)40-21-8-3-9-22-40/h1-36,55,57H
• InChIKey: WXDSOBRMVSJSJM-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.95
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	1
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-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole?

The IUPAC name of 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole (CID 153271176) is 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole.

What is the SMILES notation for 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole?

The canonical SMILES for 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole is c1ccc(-c2ccc3cccc(-c4c5cccc(N6c7ccccc7NC6c6ccccc6)c5cc5c(-n6c(-c7ccccc7)nc7ccccc76)cccc45)c3c2)cc1.

What is the InChIKey of 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole?

The InChIKey is WXDSOBRMVSJSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-4-17-37(18-5-1)41-34-33-38-23-14-24-42(45(38)35-41)54-43-25-15-31-50(59-52-29-12-10-27-48(52)57-55(59)39-19-6-2-7-20-39)46(43)36-47-44(54)26-16-32-51(47)60-53-30-13-11-28-49(53)58-56(60)40-21-8-3-9-22-40/h1-36,55,57H.

What are the key properties of 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole?

2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole has a molecular weight of 766.95 g/mol, XLogP of 14.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole is sourced from PubChem (CID 153271176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).