2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran

C40H22O3 — CID 176743173

About 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran

2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran (PubChem CID 176743173) has the molecular formula C40H22O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
• PubChem CID: 176743173
• Molecular Formula: C40H22O3
• Molecular Weight: 550.61 g/mol
• Exact Mass: 550.16
• IUPAC Name: 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
• SMILES: c1ccc2c(c1)oc1c3cc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)oc3ccc21
• InChI: InChI=1S/C40H22O3/c1-3-13-26-24(11-1)37(30-16-9-19-35-39(30)29-15-6-8-18-33(29)41-35)25-12-2-4-14-27(25)38(26)36-22-31-34(42-36)21-20-28-23-10-5-7-17-32(23)43-40(28)31/h1-22H
• InChIKey: LWZMDJHIBRRIQF-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.61
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran?

The IUPAC name of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran (CID 176743173) is 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran.

What is the SMILES notation for 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran?

The canonical SMILES for 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran is c1ccc2c(c1)oc1c3cc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)oc3ccc21.

What is the InChIKey of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran?

The InChIKey is LWZMDJHIBRRIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O3/c1-3-13-26-24(11-1)37(30-16-9-19-35-39(30)29-15-6-8-18-33(29)41-35)25-12-2-4-14-27(25)38(26)36-22-31-34(42-36)21-20-28-23-10-5-7-17-32(23)43-40(28)31/h1-22H.

What are the key properties of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran?

2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran has a molecular weight of 550.61 g/mol, XLogP of 11.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran is sourced from PubChem (CID 176743173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).