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

C56H36O — CID 174297045

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

1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran (PubChem CID 174297045) has the molecular formula C56H36O and a molecular weight of 724.90 g/mol. Its IUPAC name is 1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
• PubChem CID: 174297045
• Molecular Formula: C56H36O
• Molecular Weight: 724.90 g/mol
• Exact Mass: 724.28
• IUPAC Name: 1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)c2)cc1
• InChI: InChI=1S/C56H36O/c1-3-16-37(17-4-1)41-34-42(38-18-5-2-6-19-38)36-43(35-41)55-49-24-11-9-22-47(49)54(48-23-10-12-25-50(48)55)40-32-30-39(31-33-40)44-20-7-8-21-45(44)46-27-15-29-53-56(46)51-26-13-14-28-52(51)57-53/h1-36H
• InChIKey: PFGSIYOHZBGDHG-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.90
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran?

The IUPAC name of 1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran (CID 174297045) is 1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran.

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

The canonical SMILES for 1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)c2)cc1.

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

The InChIKey is PFGSIYOHZBGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36O/c1-3-16-37(17-4-1)41-34-42(38-18-5-2-6-19-38)36-43(35-41)55-49-24-11-9-22-47(49)54(48-23-10-12-25-50(48)55)40-32-30-39(31-33-40)44-20-7-8-21-45(44)46-27-15-29-53-56(46)51-26-13-14-28-52(51)57-53/h1-36H.

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

1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran has a molecular weight of 724.90 g/mol, XLogP of 15.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 174297045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).