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

C40H24O2 — CID 176744543

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

1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran (PubChem CID 176744543) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran.

Molecular Properties

• Compound Name: 1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
• PubChem CID: 176744543
• Molecular Formula: C40H24O2
• Molecular Weight: 536.63 g/mol
• Exact Mass: 536.18
• IUPAC Name: 1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
• SMILES: c1ccc(-c2cccc(-c3c4ccccc4c(-c4coc5ccc6oc7ccccc7c6c45)c4ccccc34)c2)cc1
• InChI: InChI=1S/C40H24O2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-28-15-4-6-17-30(28)38(31-18-7-5-16-29(31)37)33-24-41-35-21-22-36-39(40(33)35)32-19-8-9-20-34(32)42-36/h1-24H
• InChIKey: SQNKSZRPFGSJBP-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 1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The IUPAC name of 1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran (CID 176744543) is 1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran.

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

The canonical SMILES for 1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran is c1ccc(-c2cccc(-c3c4ccccc4c(-c4coc5ccc6oc7ccccc7c6c45)c4ccccc34)c2)cc1.

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

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

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

1-[10-(3-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 1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran is sourced from PubChem (CID 176744543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).