9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran

C40H24O2 — CID 176745196

About 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran

9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran (PubChem CID 176745196) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran.

Molecular Properties

• Compound Name: 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
• PubChem CID: 176745196
• Molecular Formula: C40H24O2
• Molecular Weight: 536.63 g/mol
• Exact Mass: 536.18
• IUPAC Name: 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4c5ccc5ccoc54)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C40H24O2/c1-2-9-25(10-3-1)26-17-19-27(20-18-26)36-29-11-4-6-13-31(29)37(32-14-7-5-12-30(32)36)35-16-8-15-33-34-22-21-28-23-24-41-38(28)40(34)42-39(33)35/h1-24H
• InChIKey: WKWKZRQRDWAQMB-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 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran?

The IUPAC name of 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran (CID 176745196) is 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran.

What is the SMILES notation for 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran?

The canonical SMILES for 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4c5ccc5ccoc54)c4ccccc34)cc2)cc1.

What is the InChIKey of 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran?

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

What are the key properties of 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran?

9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][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 9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran is sourced from PubChem (CID 176745196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).