2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole

C55H36N2 — CID 170236214

About 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole

2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole (PubChem CID 170236214) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole.

Molecular Properties

• Compound Name: 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
• PubChem CID: 170236214
• Molecular Formula: C55H36N2
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.29
• IUPAC Name: 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccc6ccccc6c5)cc4)c4ccccc34)c2)cc1
• InChI: InChI=1S/C55H36N2/c1-3-15-37(16-4-1)43-33-44(38-17-5-2-6-18-38)35-45(34-43)54-49-23-11-9-21-47(49)53(48-22-10-12-24-50(48)54)40-27-29-41(30-28-40)55-56-51-25-13-14-26-52(51)57(55)46-32-31-39-19-7-8-20-42(39)36-46/h1-36H
• InChIKey: XPILZJOFVDUXRW-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.91
LogP ≤ 5	14.82
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-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole?

The IUPAC name of 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole (CID 170236214) is 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole.

What is the SMILES notation for 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole?

The canonical SMILES for 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccc6ccccc6c5)cc4)c4ccccc34)c2)cc1.

What is the InChIKey of 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole?

The InChIKey is XPILZJOFVDUXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-3-15-37(16-4-1)43-33-44(38-17-5-2-6-18-38)35-45(34-43)54-49-23-11-9-21-47(49)53(48-22-10-12-24-50(48)54)40-27-29-41(30-28-40)55-56-51-25-13-14-26-52(51)57(55)46-32-31-39-19-7-8-20-42(39)36-46/h1-36H.

What are the key properties of 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole?

2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole has a molecular weight of 724.91 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole is sourced from PubChem (CID 170236214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).