4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran

C40H22O3 — CID 176744927

About 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran

4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran (PubChem CID 176744927) has the molecular formula C40H22O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran.

Molecular Properties

• Compound Name: 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran
• PubChem CID: 176744927
• Molecular Formula: C40H22O3
• Molecular Weight: 550.61 g/mol
• Exact Mass: 550.16
• IUPAC Name: 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran
• SMILES: c1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4c5ccoc5cc5oc6ccccc6c45)c4ccccc34)cc12
• InChI: InChI=1S/C40H22O3/c1-3-12-27-25(10-1)37(23-17-18-34-31(21-23)24-9-5-7-15-32(24)42-34)26-11-2-4-13-28(26)38(27)40-30-19-20-41-35(30)22-36-39(40)29-14-6-8-16-33(29)43-36/h1-22H
• InChIKey: KOOHGHBAUXMXGC-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 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran?

The IUPAC name of 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran (CID 176744927) is 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran.

What is the SMILES notation for 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran?

The canonical SMILES for 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran is c1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4c5ccoc5cc5oc6ccccc6c45)c4ccccc34)cc12.

What is the InChIKey of 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran?

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

What are the key properties of 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran?

4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][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 4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran is sourced from PubChem (CID 176744927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).