8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran

C46H26O3 — CID 176745042

About 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran

8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176745042) has the molecular formula C46H26O3 and a molecular weight of 626.71 g/mol. Its IUPAC name is 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
• PubChem CID: 176745042
• Molecular Formula: C46H26O3
• Molecular Weight: 626.71 g/mol
• Exact Mass: 626.19
• IUPAC Name: 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
• SMILES: c1ccc(-c2cc3cc4oc5c(-c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)c7ccccc67)cccc5c4cc3o2)cc1
• InChI: InChI=1S/C46H26O3/c1-2-11-27(12-3-1)41-24-29-25-43-38(26-42(29)48-41)35-18-10-19-36(46(35)49-43)45-33-16-6-4-14-31(33)44(32-15-5-7-17-34(32)45)28-21-22-40-37(23-28)30-13-8-9-20-39(30)47-40/h1-26H
• InChIKey: DLOAFXKXKDGWEA-UHFFFAOYSA-N
• XLogP: 13.54
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.71
LogP ≤ 5	13.54
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 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?

The IUPAC name of 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran (CID 176745042) is 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran.

What is the SMILES notation for 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?

The canonical SMILES for 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2cc3cc4oc5c(-c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)c7ccccc67)cccc5c4cc3o2)cc1.

What is the InChIKey of 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?

The InChIKey is DLOAFXKXKDGWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O3/c1-2-11-27(12-3-1)41-24-29-25-43-38(26-42(29)48-41)35-18-10-19-36(46(35)49-43)45-33-16-6-4-14-31(33)44(32-15-5-7-17-34(32)45)28-21-22-40-37(23-28)30-13-8-9-20-39(30)47-40/h1-26H.

What are the key properties of 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?

8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 626.71 g/mol, XLogP of 13.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176745042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).