2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran

C46H28O2 — CID 174307549

About 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran

2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran (PubChem CID 174307549) has the molecular formula C46H28O2 and a molecular weight of 612.73 g/mol. Its IUPAC name is 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran.

Molecular Properties

• Compound Name: 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran
• PubChem CID: 174307549
• Molecular Formula: C46H28O2
• Molecular Weight: 612.73 g/mol
• Exact Mass: 612.21
• IUPAC Name: 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5ccc6ccoc6c5)oc5cc6ccccc6cc45)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C46H28O2/c1-2-10-30(11-3-1)43-36-14-6-8-16-38(36)44(39-17-9-7-15-37(39)43)31-19-21-32(22-20-31)45-40-26-33-12-4-5-13-34(33)27-42(40)48-46(45)35-23-18-29-24-25-47-41(29)28-35/h1-28H
• InChIKey: SWYJDQDOGUSHFN-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.73
LogP ≤ 5	13.31
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 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran?

The IUPAC name of 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran (CID 174307549) is 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran.

What is the SMILES notation for 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran?

The canonical SMILES for 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5ccc6ccoc6c5)oc5cc6ccccc6cc45)cc3)c3ccccc23)cc1.

What is the InChIKey of 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran?

The InChIKey is SWYJDQDOGUSHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O2/c1-2-10-30(11-3-1)43-36-14-6-8-16-38(36)44(39-17-9-7-15-37(39)43)31-19-21-32(22-20-31)45-40-26-33-12-4-5-13-34(33)27-42(40)48-46(45)35-23-18-29-24-25-47-41(29)28-35/h1-28H.

What are the key properties of 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran?

2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran has a molecular weight of 612.73 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-6-yl)-3-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f][1]benzofuran is sourced from PubChem (CID 174307549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).