3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

C46H28O — CID 155335055

About 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 155335055) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

• Compound Name: 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
• PubChem CID: 155335055
• Molecular Formula: C46H28O
• Molecular Weight: 596.73 g/mol
• Exact Mass: 596.21
• IUPAC Name: 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
• SMILES: c1ccc2c(-c3cc4oc5ccccc5c4cc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1
• InChI: InChI=1S/C46H28O/c1-3-17-31-29(13-1)15-11-24-33(31)40-28-44-41(34-19-9-10-26-43(34)47-44)27-42(40)46-38-22-7-5-20-36(38)45(37-21-6-8-23-39(37)46)35-25-12-16-30-14-2-4-18-32(30)35/h1-28H
• InChIKey: DLJVVVXJTLJWDK-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.73
LogP ≤ 5	13.20
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 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?

The IUPAC name of 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (CID 155335055) is 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.

What is the SMILES notation for 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?

The canonical SMILES for 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is c1ccc2c(-c3cc4oc5ccccc5c4cc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.

What is the InChIKey of 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?

The InChIKey is DLJVVVXJTLJWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-3-17-31-29(13-1)15-11-24-33(31)40-28-44-41(34-19-9-10-26-43(34)47-44)27-42(40)46-38-22-7-5-20-36(38)45(37-21-6-8-23-39(37)46)35-25-12-16-30-14-2-4-18-32(30)35/h1-28H.

What are the key properties of 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?

3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 155335055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).