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

C50H30O2 — CID 176744195

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

6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176744195) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
• PubChem CID: 176744195
• Molecular Formula: C50H30O2
• Molecular Weight: 662.79 g/mol
• Exact Mass: 662.22
• IUPAC Name: 6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
• SMILES: c1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc24)cc1
• InChI: InChI=1S/C50H30O2/c1-3-14-32(15-4-1)49-43-30-45-42(29-46(43)52-50(49)33-16-5-2-6-17-33)41-28-36(25-26-44(41)51-45)48-39-21-11-9-19-37(39)47(38-20-10-12-22-40(38)48)35-24-23-31-13-7-8-18-34(31)27-35/h1-30H
• InChIKey: IDWQTIWLXYGGET-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.79
LogP ≤ 5	14.46
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 6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?

The IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran (CID 176744195) is 6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran.

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

The canonical SMILES for 6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc24)cc1.

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

The InChIKey is IDWQTIWLXYGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-3-14-32(15-4-1)49-43-30-45-42(29-46(43)52-50(49)33-16-5-2-6-17-33)41-28-36(25-26-44(41)51-45)48-39-21-11-9-19-37(39)47(38-20-10-12-22-40(38)48)35-24-23-31-13-7-8-18-34(31)27-35/h1-30H.

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

6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 662.79 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176744195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).