3-naphthalen-1-yl-1-benzothiophene

C18H12S — CID 621395

IUPAC3-naphthalen-1-yl-1-benzothiophene
SMILESc1ccc2c(-c3csc4ccccc34)cccc2c1
InChIInChI=1S/C18H12S/c1-2-8-14-13(6-1)7-5-10-15(14)17-12-19-18-11-4-3-9-16(17)18/h1-12H
InChIKeyCAGYGRIXMCDCLU-UHFFFAOYSA-N
MW260.36 g/mol
LogP5.72
Rot. Bonds1

About 3-naphthalen-1-yl-1-benzothiophene

3-naphthalen-1-yl-1-benzothiophene (PubChem CID 621395) has the molecular formula C18H12S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1-benzothiophene.

Molecular Properties

Compound Name3-naphthalen-1-yl-1-benzothiophene
PubChem CID621395
Molecular FormulaC18H12S
Molecular Weight260.36 g/mol
Exact Mass260.07
IUPAC Name3-naphthalen-1-yl-1-benzothiophene
SMILESc1ccc2c(-c3csc4ccccc34)cccc2c1
InChIInChI=1S/C18H12S/c1-2-8-14-13(6-1)7-5-10-15(14)17-12-19-18-11-4-3-9-16(17)18/h1-12H
InChIKeyCAGYGRIXMCDCLU-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.36
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-naphthalen-1-yl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1-benzothiophene?
The IUPAC name of 3-naphthalen-1-yl-1-benzothiophene (CID 621395) is 3-naphthalen-1-yl-1-benzothiophene.
What is the SMILES notation for 3-naphthalen-1-yl-1-benzothiophene?
The canonical SMILES for 3-naphthalen-1-yl-1-benzothiophene is c1ccc2c(-c3csc4ccccc34)cccc2c1.
What is the InChIKey of 3-naphthalen-1-yl-1-benzothiophene?
The InChIKey is CAGYGRIXMCDCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S/c1-2-8-14-13(6-1)7-5-10-15(14)17-12-19-18-11-4-3-9-16(17)18/h1-12H.
What are the key properties of 3-naphthalen-1-yl-1-benzothiophene?
3-naphthalen-1-yl-1-benzothiophene has a molecular weight of 260.36 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1-benzothiophene is sourced from PubChem (CID 621395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).