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

C48H30O — CID 58323634

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

4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 58323634) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
• PubChem CID: 58323634
• Molecular Formula: C48H30O
• Molecular Weight: 622.77 g/mol
• Exact Mass: 622.23
• IUPAC Name: 4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
• SMILES: c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c2)cc1
• InChI: InChI=1S/C48H30O/c1-2-12-31(13-3-1)35-28-29-42-44(30-35)46(40-18-6-7-19-41(40)47(42)39-21-10-15-32-14-4-5-16-36(32)39)34-26-24-33(25-27-34)37-20-11-22-43-38-17-8-9-23-45(38)49-48(37)43/h1-30H
• InChIKey: MRXFEWRNFYVPLW-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 4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?

The IUPAC name of 4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 58323634) is 4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran.

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

The canonical SMILES for 4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran is c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c2)cc1.

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

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

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

4-[4-(10-naphthalen-1-yl-2-phenylanthracen-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 4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 58323634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).