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

C52H32O — CID 59413106

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

4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 59413106) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
• PubChem CID: 59413106
• Molecular Formula: C52H32O
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.25
• IUPAC Name: 4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
• SMILES: c1cc(-c2ccc3c(oc4ccccc43)c2-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
• InChI: InChI=1S/C52H32O/c1-2-15-35-31-38(28-27-33(35)13-1)50-45-23-7-5-21-43(45)49(44-22-6-8-24-46(44)50)37-18-11-17-36(32-37)40-29-30-47-41-20-9-10-26-48(41)53-52(47)51(40)42-25-12-16-34-14-3-4-19-39(34)42/h1-32H
• InChIKey: ZAWBQQIFBLPKJU-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	14.87
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 4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?

The IUPAC name of 4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (CID 59413106) is 4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.

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

The canonical SMILES for 4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran is c1cc(-c2ccc3c(oc4ccccc43)c2-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.

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

The InChIKey is ZAWBQQIFBLPKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-2-15-35-31-38(28-27-33(35)13-1)50-45-23-7-5-21-43(45)49(44-22-6-8-24-46(44)50)37-18-11-17-36(32-37)40-29-30-47-41-20-9-10-26-48(41)53-52(47)51(40)42-25-12-16-34-14-3-4-19-39(34)42/h1-32H.

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

4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 672.83 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 59413106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).