11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

C48H30O — CID 155201319

About 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 155201319) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 155201319
• Molecular Formula: C48H30O
• Molecular Weight: 622.77 g/mol
• Exact Mass: 622.23
• IUPAC Name: 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4cccc5oc6ccc7ccccc7c6c45)c3)c3ccccc23)cc1
• InChI: InChI=1S/C48H30O/c1-2-14-31(15-3-1)35-19-6-7-21-38(35)46-41-24-10-8-22-39(41)45(40-23-9-11-25-42(40)46)34-18-12-17-33(30-34)37-26-13-27-43-48(37)47-36-20-5-4-16-32(36)28-29-44(47)49-43/h1-30H
• InChIKey: YFGRQZGDOIBNTP-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 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (CID 155201319) is 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4cccc5oc6ccc7ccccc7c6c45)c3)c3ccccc23)cc1.

What is the InChIKey of 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

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

What are the key properties of 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-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 11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 155201319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).