4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

C54H34O — CID 176639395

About 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (PubChem CID 176639395) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
• PubChem CID: 176639395
• Molecular Formula: C54H34O
• Molecular Weight: 698.87 g/mol
• Exact Mass: 698.26
• IUPAC Name: 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C54H34O/c1-3-17-35(18-4-1)37-28-15-29-38(36-19-5-2-6-20-36)52(37)53-45-26-11-9-24-43(45)51(44-25-10-12-27-46(44)53)47-34-33-41(39-21-7-8-22-40(39)47)48-30-16-31-49-42-23-13-14-32-50(42)55-54(48)49/h1-34H
• InChIKey: HGFALARZMPABSZ-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.87
LogP ≤ 5	15.38
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-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?

The IUPAC name of 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (CID 176639395) is 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.

What is the SMILES notation for 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?

The canonical SMILES for 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is c1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?

The InChIKey is HGFALARZMPABSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O/c1-3-17-35(18-4-1)37-28-15-29-38(36-19-5-2-6-20-36)52(37)53-45-26-11-9-24-43(45)51(44-25-10-12-27-46(44)53)47-34-33-41(39-21-7-8-22-40(39)47)48-30-16-31-49-42-23-13-14-32-50(42)55-54(48)49/h1-34H.

What are the key properties of 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?

4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran has a molecular weight of 698.87 g/mol, XLogP of 15.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 176639395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).