2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole

C57H36N2 — CID 118604213

About 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole

2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole (PubChem CID 118604213) has the molecular formula C57H36N2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole
• PubChem CID: 118604213
• Molecular Formula: C57H36N2
• Molecular Weight: 748.93 g/mol
• Exact Mass: 748.29
• IUPAC Name: 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole
• SMILES: c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c4ccccc34)nc3ccccc32)cc1
• InChI: InChI=1S/C57H36N2/c1-2-19-42(20-3-1)59-54-28-13-12-27-53(54)58-57(59)51-34-33-44(45-22-8-9-23-46(45)51)40-31-32-50-52(36-40)55(41-30-29-37-15-4-5-17-39(37)35-41)48-24-10-11-25-49(48)56(50)47-26-14-18-38-16-6-7-21-43(38)47/h1-36H
• InChIKey: LZMVMZMJCKEGMO-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.93
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole?

The IUPAC name of 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole (CID 118604213) is 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c4ccccc34)nc3ccccc32)cc1.

What is the InChIKey of 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole?

The InChIKey is LZMVMZMJCKEGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2/c1-2-19-42(20-3-1)59-54-28-13-12-27-53(54)58-57(59)51-34-33-44(45-22-8-9-23-46(45)51)40-31-32-50-52(36-40)55(41-30-29-37-15-4-5-17-39(37)35-41)48-24-10-11-25-49(48)56(50)47-26-14-18-38-16-6-7-21-43(38)47/h1-36H.

What are the key properties of 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole?

2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole has a molecular weight of 748.93 g/mol, XLogP of 15.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 118604213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).