11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran

C56H32O2 — CID 155334130

About 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran

11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 155334130) has the molecular formula C56H32O2 and a molecular weight of 736.87 g/mol. Its IUPAC name is 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 155334130
• Molecular Formula: C56H32O2
• Molecular Weight: 736.87 g/mol
• Exact Mass: 736.24
• IUPAC Name: 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc2c(-c3c4cccc(-c5c6ccccc6cc6oc7ccccc7c56)c4cc4c(-c5c6ccccc6cc6oc7ccccc7c56)cccc34)cccc2c1
• InChI: InChI=1S/C56H32O2/c1-4-18-36-33(14-1)17-11-23-39(36)52-40-24-12-26-42(53-37-19-5-2-15-34(37)30-50-55(53)44-21-7-9-28-48(44)57-50)46(40)32-47-41(52)25-13-27-43(47)54-38-20-6-3-16-35(38)31-51-56(54)45-22-8-10-29-49(45)58-51/h1-32H
• InChIKey: VTQGWWQDSNCPHE-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 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran (CID 155334130) is 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran is c1ccc2c(-c3c4cccc(-c5c6ccccc6cc6oc7ccccc7c56)c4cc4c(-c5c6ccccc6cc6oc7ccccc7c56)cccc34)cccc2c1.

What is the InChIKey of 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?

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

What are the key properties of 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?

11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-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 11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 155334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).