7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran

C50H28O3 — CID 176745557

About 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran

7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176745557) has the molecular formula C50H28O3 and a molecular weight of 676.77 g/mol. Its IUPAC name is 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

• Compound Name: 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran
• PubChem CID: 176745557
• Molecular Formula: C50H28O3
• Molecular Weight: 676.77 g/mol
• Exact Mass: 676.20
• IUPAC Name: 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran
• SMILES: c1ccc2cc(-c3coc4cc5c(cc34)oc3cc(-c4c6ccccc6c(-c6cccc7oc8ccccc8c67)c6ccccc46)ccc35)ccc2c1
• InChI: InChI=1S/C50H28O3/c1-2-11-30-24-31(21-20-29(30)10-1)42-28-51-45-26-40-33-23-22-32(25-46(33)53-47(40)27-41(42)45)48-34-12-3-5-14-36(34)49(37-15-6-4-13-35(37)48)39-17-9-19-44-50(39)38-16-7-8-18-43(38)52-44/h1-28H
• InChIKey: PMRSSOKWUOZQPL-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.77
LogP ≤ 5	14.69
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 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran?

The IUPAC name of 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran (CID 176745557) is 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran.

What is the SMILES notation for 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran?

The canonical SMILES for 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran is c1ccc2cc(-c3coc4cc5c(cc34)oc3cc(-c4c6ccccc6c(-c6cccc7oc8ccccc8c67)c6ccccc46)ccc35)ccc2c1.

What is the InChIKey of 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran?

The InChIKey is PMRSSOKWUOZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28O3/c1-2-11-30-24-31(21-20-29(30)10-1)42-28-51-45-26-40-33-23-22-32(25-46(33)53-47(40)27-41(42)45)48-34-12-3-5-14-36(34)49(37-15-6-4-13-35(37)48)39-17-9-19-44-50(39)38-16-7-8-18-43(38)52-44/h1-28H.

What are the key properties of 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran?

7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 676.77 g/mol, XLogP of 14.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176745557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).