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

C41H26O — CID 134487603

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

10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 134487603) has the molecular formula C41H26O and a molecular weight of 534.66 g/mol. Its IUPAC name is 10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
• PubChem CID: 134487603
• Molecular Formula: C41H26O
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.20
• IUPAC Name: 10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
• SMILES: Cc1ccc2oc3ccc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc4c3c2c1
• InChI: InChI=1S/C41H26O/c1-25-14-20-37-36(22-25)41-31-19-17-30(24-28(31)18-21-38(41)42-37)40-34-12-6-4-10-32(34)39(33-11-5-7-13-35(33)40)29-16-15-26-8-2-3-9-27(26)23-29/h2-24H,1H3
• InChIKey: AJVVSLHAYWDWFN-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	11.84
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 10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?

The IUPAC name of 10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (CID 134487603) is 10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.

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

The canonical SMILES for 10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran is Cc1ccc2oc3ccc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc4c3c2c1.

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

The InChIKey is AJVVSLHAYWDWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26O/c1-25-14-20-37-36(22-25)41-31-19-17-30(24-28(31)18-21-38(41)42-37)40-34-12-6-4-10-32(34)39(33-11-5-7-13-35(33)40)29-16-15-26-8-2-3-9-27(26)23-29/h2-24H,1H3.

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

10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran has a molecular weight of 534.66 g/mol, XLogP of 11.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 134487603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).