3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran

C48H28O2 — CID 176743645

About 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran

3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176743645) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

• Compound Name: 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
• PubChem CID: 176743645
• Molecular Formula: C48H28O2
• Molecular Weight: 636.75 g/mol
• Exact Mass: 636.21
• IUPAC Name: 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4oc4ccc6c(-c7ccc8ccccc8c7)coc6c45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C48H28O2/c1-3-12-31-26-33(22-20-29(31)10-1)42-28-49-48-39(42)24-25-43-46(48)41-19-9-18-40(47(41)50-43)45-37-16-7-5-14-35(37)44(36-15-6-8-17-38(36)45)34-23-21-30-11-2-4-13-32(30)27-34/h1-28H
• InChIKey: YSABKAMXEAPOIX-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.75
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?

The IUPAC name of 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (CID 176743645) is 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.

What is the SMILES notation for 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?

The canonical SMILES for 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4oc4ccc6c(-c7ccc8ccccc8c7)coc6c45)c4ccccc34)ccc2c1.

What is the InChIKey of 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?

The InChIKey is YSABKAMXEAPOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-3-12-31-26-33(22-20-29(31)10-1)42-28-49-48-39(42)24-25-43-46(48)41-19-9-18-40(47(41)50-43)45-37-16-7-5-14-35(37)44(36-15-6-8-17-38(36)45)34-23-21-30-11-2-4-13-32(30)27-34/h1-28H.

What are the key properties of 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?

3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176743645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).