1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran

C54H34O — CID 165169897

About 1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran

1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran (PubChem CID 165169897) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran.

Molecular Properties

• Compound Name: 1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
• PubChem CID: 165169897
• Molecular Formula: C54H34O
• Molecular Weight: 698.87 g/mol
• Exact Mass: 698.26
• IUPAC Name: 1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
• SMILES: c1ccc(-c2ccccc2-c2ccc3oc4ccccc4c3c2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C54H34O/c1-2-15-35(16-3-1)39-19-6-7-21-41(39)47-33-34-50-54(48-26-12-13-28-49(48)55-50)52(47)38-31-29-37(30-32-38)51-43-22-8-10-24-45(43)53(46-25-11-9-23-44(46)51)42-27-14-18-36-17-4-5-20-40(36)42/h1-34H
• InChIKey: HHRQZGMENXOMHR-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.87
LogP ≤ 5	15.38
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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran?

The IUPAC name of 1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran (CID 165169897) is 1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran.

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

The canonical SMILES for 1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran is c1ccc(-c2ccccc2-c2ccc3oc4ccccc4c3c2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.

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

The InChIKey is HHRQZGMENXOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O/c1-2-15-35(16-3-1)39-19-6-7-21-41(39)47-33-34-50-54(48-26-12-13-28-49(48)55-50)52(47)38-31-29-37(30-32-38)51-43-22-8-10-24-45(43)53(46-25-11-9-23-44(46)51)42-27-14-18-36-17-4-5-20-40(36)42/h1-34H.

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

1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran has a molecular weight of 698.87 g/mol, XLogP of 15.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran is sourced from PubChem (CID 165169897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).