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

C48H30O — CID 58536112

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

2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 58536112) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
• PubChem CID: 58536112
• Molecular Formula: C48H30O
• Molecular Weight: 622.77 g/mol
• Exact Mass: 622.23
• IUPAC Name: 2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1
• InChI: InChI=1S/C48H30O/c1-2-14-32-29-33(26-25-31(32)13-1)35-15-3-5-18-38(35)47-40-20-7-9-22-42(40)48(43-23-10-8-21-41(43)47)39-19-6-4-16-36(39)34-27-28-46-44(30-34)37-17-11-12-24-45(37)49-46/h1-30H
• InChIKey: WSNVQSXBUPYKKG-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.77
LogP ≤ 5	13.71
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-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran?

The IUPAC name of 2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran (CID 58536112) is 2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran.

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

The canonical SMILES for 2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1.

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

The InChIKey is WSNVQSXBUPYKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-14-32-29-33(26-25-31(32)13-1)35-15-3-5-18-38(35)47-40-20-7-9-22-42(40)48(43-23-10-8-21-41(43)47)39-19-6-4-16-36(39)34-27-28-46-44(30-34)37-17-11-12-24-45(37)49-46/h1-30H.

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

2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 58536112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).