2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C46H26O2 — CID 155205856

About 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 155205856) has the molecular formula C46H26O2 and a molecular weight of 610.71 g/mol. Its IUPAC name is 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 155205856
• Molecular Formula: C46H26O2
• Molecular Weight: 610.71 g/mol
• Exact Mass: 610.19
• IUPAC Name: 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc24)cc13
• InChI: InChI=1S/C46H26O2/c1-2-12-29-26-42-39(24-28(29)11-1)38-25-30(21-23-40(38)47-42)43-32-14-5-7-16-34(32)44(35-17-8-6-15-33(35)43)36-18-9-19-41-45(36)37-22-20-27-10-3-4-13-31(27)46(37)48-41/h1-26H
• InChIKey: BRBHTHDQAGXFEN-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.71
LogP ≤ 5	13.43
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 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 155205856) is 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc24)cc13.

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

The InChIKey is BRBHTHDQAGXFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O2/c1-2-12-29-26-42-39(24-28(29)11-1)38-25-30(21-23-40(38)47-42)43-32-14-5-7-16-34(32)44(35-17-8-6-15-33(35)43)36-18-9-19-41-45(36)37-22-20-27-10-3-4-13-31(27)46(37)48-41/h1-26H.

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

2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 610.71 g/mol, XLogP of 13.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 155205856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).