6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran

C40H28O — CID 168762486

About 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran

6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran (PubChem CID 168762486) has the molecular formula C40H28O and a molecular weight of 524.66 g/mol. Its IUPAC name is 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran
• PubChem CID: 168762486
• Molecular Formula: C40H28O
• Molecular Weight: 524.66 g/mol
• Exact Mass: 524.21
• IUPAC Name: 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4c5c(cc6c4oc4ccccc46)CCCC5)c4ccccc34)ccc2c1
• InChI: InChI=1S/C40H28O/c1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-2,5-12,15-24H,3-4,13-14H2
• InChIKey: JSNQUNNDTIBLBI-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.66
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran?

The IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran (CID 168762486) is 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran?

The canonical SMILES for 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4c5c(cc6c4oc4ccccc46)CCCC5)c4ccccc34)ccc2c1.

What is the InChIKey of 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran?

The InChIKey is JSNQUNNDTIBLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28O/c1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-2,5-12,15-24H,3-4,13-14H2.

What are the key properties of 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran?

6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran has a molecular weight of 524.66 g/mol, XLogP of 11.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(10-naphthalen-2-ylanthracen-9-yl)-7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 168762486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).