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

C48H30O — CID 174296945

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

2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran (PubChem CID 174296945) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
• PubChem CID: 174296945
• Molecular Formula: C48H30O
• Molecular Weight: 622.77 g/mol
• Exact Mass: 622.23
• IUPAC Name: 2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
• SMILES: c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c1
• InChI: InChI=1S/C48H30O/c1-2-12-34-29-36(26-21-31(34)11-1)48-42-18-7-5-16-40(42)47(41-17-6-8-19-43(41)48)33-24-22-32(23-25-33)37-13-3-4-14-38(37)35-27-28-46-44(30-35)39-15-9-10-20-45(39)49-46/h1-30H
• InChIKey: READKUWZTYUJBH-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 2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran?

The IUPAC name of 2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran (CID 174296945) is 2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran.

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

The canonical SMILES for 2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran is c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c1.

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

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

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

2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]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 2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 174296945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).