2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran

C54H34O — CID 59866524

About 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran

2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran (PubChem CID 59866524) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
• PubChem CID: 59866524
• Molecular Formula: C54H34O
• Molecular Weight: 698.87 g/mol
• Exact Mass: 698.26
• IUPAC Name: 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
• SMILES: c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)c3ccccc23)c1
• InChI: InChI=1S/C54H34O/c1-2-15-43-38(11-1)12-10-21-44(43)41-13-9-14-42(33-41)54-48-19-5-3-17-46(48)53(47-18-4-6-20-49(47)54)39-29-27-36(28-30-39)35-23-25-37(26-24-35)40-31-32-52-50(34-40)45-16-7-8-22-51(45)55-52/h1-34H
• InChIKey: NBHPJBGFNPKBTJ-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 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran?

The IUPAC name of 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran (CID 59866524) is 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran.

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

The canonical SMILES for 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)c3ccccc23)c1.

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

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

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

2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]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 2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 59866524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).