6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran

C48H30O — CID 129119407

About 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran

6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 129119407) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 129119407
• Molecular Formula: C48H30O
• Molecular Weight: 622.77 g/mol
• Exact Mass: 622.23
• IUPAC Name: 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cc6ccccc6c6oc7ccccc7c56)c4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C48H30O/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)45-38-19-6-8-21-40(38)46(41-22-9-7-20-39(41)45)36-17-12-16-34(29-36)43-30-35-15-4-5-18-37(35)48-47(43)42-23-10-11-24-44(42)49-48/h1-30H
• InChIKey: CMDOXJHGDYLNLT-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 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran (CID 129119407) is 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cc6ccccc6c6oc7ccccc7c56)c4)c4ccccc34)cc2)cc1.

What is the InChIKey of 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran?

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

What are the key properties of 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran?

6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran 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 6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 129119407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).