8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran

C56H32O2 — CID 155333434

About 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran

8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 155333434) has the molecular formula C56H32O2 and a molecular weight of 736.87 g/mol. Its IUPAC name is 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
• PubChem CID: 155333434
• Molecular Formula: C56H32O2
• Molecular Weight: 736.87 g/mol
• Exact Mass: 736.24
• IUPAC Name: 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
• SMILES: c1ccc2c(-c3c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c4cc4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc34)cccc2c1
• InChI: InChI=1S/C56H32O2/c1-4-16-36-33(12-1)15-7-21-41(36)52-42-22-8-19-39(44-24-10-26-46-53-37-17-5-2-13-34(37)28-30-50(53)57-55(44)46)48(42)32-49-40(20-9-23-43(49)52)45-25-11-27-47-54-38-18-6-3-14-35(38)29-31-51(54)58-56(45)47/h1-32H
• InChIKey: SGEGRJQHLMWKKU-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.87
LogP ≤ 5	16.25
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 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran?

The IUPAC name of 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran (CID 155333434) is 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran is c1ccc2c(-c3c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c4cc4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc34)cccc2c1.

What is the InChIKey of 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran?

The InChIKey is SGEGRJQHLMWKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2/c1-4-16-36-33(12-1)15-7-21-41(36)52-42-22-8-19-39(44-24-10-26-46-53-37-17-5-2-13-34(37)28-30-50(53)57-55(44)46)48(42)32-49-40(20-9-23-43(49)52)45-25-11-27-47-54-38-18-6-3-14-35(38)29-31-51(54)58-56(45)47/h1-32H.

What are the key properties of 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran?

8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran has a molecular weight of 736.87 g/mol, XLogP of 16.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 155333434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).