2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole

C57H37N5 — CID 58175268

About 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole

2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole (PubChem CID 58175268) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole.

Molecular Properties

• Compound Name: 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole
• PubChem CID: 58175268
• Molecular Formula: C57H37N5
• Molecular Weight: 791.96 g/mol
• Exact Mass: 791.30
• IUPAC Name: 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole
• SMILES: c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccc4c5ccc(-c6cccc(-c7ccncc7)n6)cc5ccc4c23)cc1
• InChI: InChI=1S/C57H37N5/c1-4-13-39(14-5-1)54-55-48-30-25-42-37-43(50-21-12-20-49(59-50)38-33-35-58-36-34-38)26-29-46(42)47(48)31-32-53(55)61(56(54)40-15-6-2-7-16-40)45-27-23-41(24-28-45)57-60-51-19-10-11-22-52(51)62(57)44-17-8-3-9-18-44/h1-37H
• InChIKey: FDQKPAFTXAEPHM-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.96
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole?

The IUPAC name of 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole (CID 58175268) is 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole.

What is the SMILES notation for 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole?

The canonical SMILES for 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole is c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccc4c5ccc(-c6cccc(-c7ccncc7)n6)cc5ccc4c23)cc1.

What is the InChIKey of 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole?

The InChIKey is FDQKPAFTXAEPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-4-13-39(14-5-1)54-55-48-30-25-42-37-43(50-21-12-20-49(59-50)38-33-35-58-36-34-38)26-29-46(42)47(48)31-32-53(55)61(56(54)40-15-6-2-7-16-40)45-27-23-41(24-28-45)57-60-51-19-10-11-22-52(51)62(57)44-17-8-3-9-18-44/h1-37H.

What are the key properties of 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole?

2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole is sourced from PubChem (CID 58175268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).