2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C42H26O — CID 118402744

About 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 118402744) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 118402744
• Molecular Formula: C42H26O
• Molecular Weight: 546.67 g/mol
• Exact Mass: 546.20
• IUPAC Name: 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C42H26O/c1-3-11-27(12-4-1)31-19-21-35-38(24-31)41(28-13-5-2-6-14-28)33-17-9-10-18-34(33)42(35)32-20-22-39-36(25-32)37-23-29-15-7-8-16-30(29)26-40(37)43-39/h1-26H
• InChIKey: UQYACZVQONCGSO-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.67
LogP ≤ 5	12.05
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-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 118402744) is 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1.

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

The InChIKey is UQYACZVQONCGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-3-11-27(12-4-1)31-19-21-35-38(24-31)41(28-13-5-2-6-14-28)33-17-9-10-18-34(33)42(35)32-20-22-39-36(25-32)37-23-29-15-7-8-16-30(29)26-40(37)43-39/h1-26H.

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

2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 118402744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).