4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine

C28H21N3S — CID 132837741

IUPAC4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCSc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C28H21N3S/c1-32-24-14-12-21(13-15-24)20-8-10-22(11-9-20)23-18-27(25-6-2-4-16-29-25)31-28(19-23)26-7-3-5-17-30-26/h2-19H,1H3
InChIKeyCPFUNDWPSBIWHZ-UHFFFAOYSA-N
MW431.56 g/mol
LogP7.26
Rot. Bonds5

About 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 132837741) has the molecular formula C28H21N3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID132837741
Molecular FormulaC28H21N3S
Molecular Weight431.56 g/mol
Exact Mass431.15
IUPAC Name4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCSc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C28H21N3S/c1-32-24-14-12-21(13-15-24)20-8-10-22(11-9-20)23-18-27(25-6-2-4-16-29-25)31-28(19-23)26-7-3-5-17-30-26/h2-19H,1H3
InChIKeyCPFUNDWPSBIWHZ-UHFFFAOYSA-N
XLogP7.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837740
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
CID 11078715
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine
CID 102503516
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]buta-1,3-diynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 10532429

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine (CID 132837741) is 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine is CSc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is CPFUNDWPSBIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3S/c1-32-24-14-12-21(13-15-24)20-8-10-22(11-9-20)23-18-27(25-6-2-4-16-29-25)31-28(19-23)26-7-3-5-17-30-26/h2-19H,1H3.
What are the key properties of 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 431.56 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 132837741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).