7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran

C40H24O2 — CID 176743048

About 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran

7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran (PubChem CID 176743048) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran.

Molecular Properties

• Compound Name: 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
• PubChem CID: 176743048
• Molecular Formula: C40H24O2
• Molecular Weight: 536.63 g/mol
• Exact Mass: 536.18
• IUPAC Name: 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4c3oc3ccc5occc5c34)c3ccccc23)cc1
• InChI: InChI=1S/C40H24O2/c1-2-11-25(12-3-1)26-13-4-5-14-27(26)37-28-15-6-8-17-30(28)38(31-18-9-7-16-29(31)37)33-19-10-20-34-39-32-23-24-41-35(32)21-22-36(39)42-40(33)34/h1-24H
• InChIKey: BFDMAANMXLHMJO-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.63
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The IUPAC name of 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran (CID 176743048) is 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran.

What is the SMILES notation for 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The canonical SMILES for 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4c3oc3ccc5occc5c34)c3ccccc23)cc1.

What is the InChIKey of 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The InChIKey is BFDMAANMXLHMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O2/c1-2-11-25(12-3-1)26-13-4-5-14-27(26)37-28-15-6-8-17-30(28)38(31-18-9-7-16-29(31)37)33-19-10-20-34-39-32-23-24-41-35(32)21-22-36(39)42-40(33)34/h1-24H.

What are the key properties of 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran has a molecular weight of 536.63 g/mol, XLogP of 11.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran is sourced from PubChem (CID 176743048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).