2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole

C53H36N2 — CID 89292400

About 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole

2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole (PubChem CID 89292400) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole.

Molecular Properties

• Compound Name: 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole
• PubChem CID: 89292400
• Molecular Formula: C53H36N2
• Molecular Weight: 700.89 g/mol
• Exact Mass: 700.29
• IUPAC Name: 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C53H36N2/c1-5-19-37(20-6-1)43-27-13-14-28-44(43)50-47-31-17-15-29-45(47)49(46-30-16-18-32-48(46)50)38-33-35-42(36-34-38)55-52(40-23-9-3-10-24-40)51(39-21-7-2-8-22-39)54-53(55)41-25-11-4-12-26-41/h1-36H
• InChIKey: QAQKJRFDONSCOG-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.89
LogP ≤ 5	14.18
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 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole?

The IUPAC name of 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole (CID 89292400) is 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole.

What is the SMILES notation for 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole?

The canonical SMILES for 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccccc23)cc1.

What is the InChIKey of 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole?

The InChIKey is QAQKJRFDONSCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-5-19-37(20-6-1)43-27-13-14-28-44(43)50-47-31-17-15-29-45(47)49(46-30-16-18-32-48(46)50)38-33-35-42(36-34-38)55-52(40-23-9-3-10-24-40)51(39-21-7-2-8-22-39)54-53(55)41-25-11-4-12-26-41/h1-36H.

What are the key properties of 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole?

2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole has a molecular weight of 700.89 g/mol, XLogP of 14.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole is sourced from PubChem (CID 89292400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).