3-(4-phenylsulfanylnaphthalen-2-yl)pyridine

C21H15NS — CID 118720485

IUPAC3-(4-phenylsulfanylnaphthalen-2-yl)pyridine
SMILESc1ccc(Sc2cc(-c3cccnc3)cc3ccccc23)cc1
InChIInChI=1S/C21H15NS/c1-2-9-19(10-3-1)23-21-14-18(17-8-6-12-22-15-17)13-16-7-4-5-11-20(16)21/h1-15H
InChIKeyUKQIQOZWNAHASB-UHFFFAOYSA-N
MW313.43 g/mol
LogP6.05
Rot. Bonds3

About 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine

3-(4-phenylsulfanylnaphthalen-2-yl)pyridine (PubChem CID 118720485) has the molecular formula C21H15NS and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(4-phenylsulfanylnaphthalen-2-yl)pyridine
PubChem CID118720485
Molecular FormulaC21H15NS
Molecular Weight313.43 g/mol
Exact Mass313.09
IUPAC Name3-(4-phenylsulfanylnaphthalen-2-yl)pyridine
SMILESc1ccc(Sc2cc(-c3cccnc3)cc3ccccc23)cc1
InChIInChI=1S/C21H15NS/c1-2-9-19(10-3-1)23-21-14-18(17-8-6-12-22-15-17)13-16-7-4-5-11-20(16)21/h1-15H
InChIKeyUKQIQOZWNAHASB-UHFFFAOYSA-N
XLogP6.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine 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-(4-phenylsulfanylnaphthalen-2-yl)pyridine?
The IUPAC name of 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine (CID 118720485) is 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine is c1ccc(Sc2cc(-c3cccnc3)cc3ccccc23)cc1.
What is the InChIKey of 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine?
The InChIKey is UKQIQOZWNAHASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NS/c1-2-9-19(10-3-1)23-21-14-18(17-8-6-12-22-15-17)13-16-7-4-5-11-20(16)21/h1-15H.
What are the key properties of 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine?
3-(4-phenylsulfanylnaphthalen-2-yl)pyridine has a molecular weight of 313.43 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylsulfanylnaphthalen-2-yl)pyridine is sourced from PubChem (CID 118720485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).