8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran

C52H30O3 — CID 176745348

About 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran

8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran (PubChem CID 176745348) has the molecular formula C52H30O3 and a molecular weight of 702.81 g/mol. Its IUPAC name is 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran
• PubChem CID: 176745348
• Molecular Formula: C52H30O3
• Molecular Weight: 702.81 g/mol
• Exact Mass: 702.22
• IUPAC Name: 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran
• SMILES: c1ccc(-c2oc3cc4oc5c(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)cccc5c4cc3c2-c2ccccc2)cc1
• InChI: InChI=1S/C52H30O3/c1-3-14-31(15-4-1)49-43-29-42-40-23-13-24-41(52(40)55-46(42)30-47(43)54-51(49)32-16-5-2-6-17-32)50-38-21-9-7-19-36(38)48(37-20-8-10-22-39(37)50)33-26-27-35-34-18-11-12-25-44(34)53-45(35)28-33/h1-30H
• InChIKey: HJCOVKQOXNTVCS-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.81
LogP ≤ 5	15.21
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-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran?

The IUPAC name of 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran (CID 176745348) is 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran.

What is the SMILES notation for 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran?

The canonical SMILES for 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran is c1ccc(-c2oc3cc4oc5c(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)cccc5c4cc3c2-c2ccccc2)cc1.

What is the InChIKey of 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran?

The InChIKey is HJCOVKQOXNTVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O3/c1-3-14-31(15-4-1)49-43-29-42-40-23-13-24-41(52(40)55-46(42)30-47(43)54-51(49)32-16-5-2-6-17-32)50-38-21-9-7-19-36(38)48(37-20-8-10-22-39(37)50)33-26-27-35-34-18-11-12-25-44(34)53-45(35)28-33/h1-30H.

What are the key properties of 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran?

8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran has a molecular weight of 702.81 g/mol, XLogP of 15.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran is sourced from PubChem (CID 176745348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).