2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine

C23H18NPS — CID 102503516

IUPAC2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine
SMILESCSc1ccc(-c2cc(-c3ccccc3)pc(-c3ccccn3)c2)cc1
InChIInChI=1S/C23H18NPS/c1-26-20-12-10-17(11-13-20)19-15-22(18-7-3-2-4-8-18)25-23(16-19)21-9-5-6-14-24-21/h2-16H,1H3
InChIKeyYHCQURZCWJDBNP-UHFFFAOYSA-N
MW371.45 g/mol
LogP7.38
Rot. Bonds4

About 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine

2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine (PubChem CID 102503516) has the molecular formula C23H18NPS and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine.

Molecular Properties

Compound Name2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine
PubChem CID102503516
Molecular FormulaC23H18NPS
Molecular Weight371.45 g/mol
Exact Mass371.09
IUPAC Name2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine
SMILESCSc1ccc(-c2cc(-c3ccccc3)pc(-c3ccccn3)c2)cc1
InChIInChI=1S/C23H18NPS/c1-26-20-12-10-17(11-13-20)19-15-22(18-7-3-2-4-8-18)25-23(16-19)21-9-5-6-14-24-21/h2-16H,1H3
InChIKeyYHCQURZCWJDBNP-UHFFFAOYSA-N
XLogP7.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.45
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
4-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837740
4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
CID 11078715
2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 177474050
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[2,4-bis(methylsulfanyl)phenyl]pyridine
CID 134966043
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine?
The IUPAC name of 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine (CID 102503516) is 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine.
What is the SMILES notation for 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine?
The canonical SMILES for 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine is CSc1ccc(-c2cc(-c3ccccc3)pc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine?
The InChIKey is YHCQURZCWJDBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18NPS/c1-26-20-12-10-17(11-13-20)19-15-22(18-7-3-2-4-8-18)25-23(16-19)21-9-5-6-14-24-21/h2-16H,1H3.
What are the key properties of 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine?
2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine has a molecular weight of 371.45 g/mol, XLogP of 7.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine is sourced from PubChem (CID 102503516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).