4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran

C52H32O — CID 58323570

About 4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran

4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 58323570) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
• PubChem CID: 58323570
• Molecular Formula: C52H32O
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.25
• IUPAC Name: 4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
• SMILES: c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c3)ccc2c1
• InChI: InChI=1S/C52H32O/c1-3-12-37-30-39(26-20-33(37)10-1)40-28-29-46-48(32-40)50(44-15-5-6-16-45(44)51(46)41-27-21-34-11-2-4-13-38(34)31-41)36-24-22-35(23-25-36)42-17-9-18-47-43-14-7-8-19-49(43)53-52(42)47/h1-32H
• InChIKey: MRHAHNCOLYDRPU-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-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?

The IUPAC name of 4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (CID 58323570) is 4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.

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

The canonical SMILES for 4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran is c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c3)ccc2c1.

What is the InChIKey of 4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?

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

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

4-[4-(2,10-dinaphthalen-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-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 58323570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).