2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole

C₆₅H₄₆N₂ — CID 155788451

About 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole

2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole (PubChem CID 155788451) has the molecular formula C₆₅H₄₆N₂ and a molecular weight of 855.10 g/mol. Its IUPAC name is 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole.

Molecular Properties

• Compound Name: 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
• PubChem CID: 155788451
• Molecular Formula: C₆₅H₄₆N₂
• Molecular Weight: 855.10 g/mol
• Exact Mass: 854.37
• IUPAC Name: 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
• SMILES: CCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)cc2)c2ccccc12
• InChI: InChI=1S/C65H46N2/c1-2-60-66-58-33-19-20-34-59(58)67(60)65-54-31-17-15-29-52(54)61(53-30-16-18-32-55(53)65)51-41-37-45(38-42-51)44-35-39-47(40-36-44)57-43-56(46-21-7-3-8-22-46)62(48-23-9-4-10-24-48)64(50-27-13-6-14-28-50)63(57)49-25-11-5-12-26-49/h3-43H,2H2,1H3
• InChIKey: ASRUHHUZUXTLGZ-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.10
LogP ≤ 5	17.56
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-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole?

The IUPAC name of 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole (CID 155788451) is 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole.

What is the SMILES notation for 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole?

The canonical SMILES for 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole is CCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)cc2)c2ccccc12.

What is the InChIKey of 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole?

The InChIKey is ASRUHHUZUXTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2/c1-2-60-66-58-33-19-20-34-59(58)67(60)65-54-31-17-15-29-52(54)61(53-30-16-18-32-55(53)65)51-41-37-45(38-42-51)44-35-39-47(40-36-44)57-43-56(46-21-7-3-8-22-46)62(48-23-9-4-10-24-48)64(50-27-13-6-14-28-50)63(57)49-25-11-5-12-26-49/h3-43H,2H2,1H3.

What are the key properties of 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole?

2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole has a molecular weight of 855.10 g/mol, XLogP of 17.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole is sourced from PubChem (CID 155788451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155788451 — identifiers, structure, computed properties (public domain)

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