2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine

C30H20N2S — CID 54452681

IUPAC2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine
SMILESc1ccc(-c2ccc3ccccc3c2Sc2c(-c3ccccn3)ccc3ccccc23)nc1
InChIInChI=1S/C30H20N2S/c1-3-11-23-21(9-1)15-17-25(27-13-5-7-19-31-27)29(23)33-30-24-12-4-2-10-22(24)16-18-26(30)28-14-6-8-20-32-28/h1-20H
InChIKeyWWASAISHUBOFAR-UHFFFAOYSA-N
MW440.57 g/mol
LogP8.27
Rot. Bonds4

About 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine

2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine (PubChem CID 54452681) has the molecular formula C30H20N2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine
PubChem CID54452681
Molecular FormulaC30H20N2S
Molecular Weight440.57 g/mol
Exact Mass440.13
IUPAC Name2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine
SMILESc1ccc(-c2ccc3ccccc3c2Sc2c(-c3ccccn3)ccc3ccccc23)nc1
InChIInChI=1S/C30H20N2S/c1-3-11-23-21(9-1)15-17-25(27-13-5-7-19-31-27)29(23)33-30-24-12-4-2-10-22(24)16-18-26(30)28-14-6-8-20-32-28/h1-20H
InChIKeyWWASAISHUBOFAR-UHFFFAOYSA-N
XLogP8.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine?
The IUPAC name of 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine (CID 54452681) is 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine.
What is the SMILES notation for 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine?
The canonical SMILES for 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine is c1ccc(-c2ccc3ccccc3c2Sc2c(-c3ccccn3)ccc3ccccc23)nc1.
What is the InChIKey of 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine?
The InChIKey is WWASAISHUBOFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S/c1-3-11-23-21(9-1)15-17-25(27-13-5-7-19-31-27)29(23)33-30-24-12-4-2-10-22(24)16-18-26(30)28-14-6-8-20-32-28/h1-20H.
What are the key properties of 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine?
2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine has a molecular weight of 440.57 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-2-ylnaphthalen-1-yl)sulfanylnaphthalen-2-yl]pyridine is sourced from PubChem (CID 54452681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).