4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine

C24H19NS — CID 11078715

IUPAC4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
SMILESCSc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H19NS/c1-26-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)25-24(17-21)20-10-6-3-7-11-20/h2-17H,1H3
InChIKeyMRXCAXIJQLBZGY-UHFFFAOYSA-N
MW353.49 g/mol
LogP6.80
Rot. Bonds4

About 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine

4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine (PubChem CID 11078715) has the molecular formula C24H19NS and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
PubChem CID11078715
Molecular FormulaC24H19NS
Molecular Weight353.49 g/mol
Exact Mass353.12
IUPAC Name4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
SMILESCSc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H19NS/c1-26-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)25-24(17-21)20-10-6-3-7-11-20/h2-17H,1H3
InChIKeyMRXCAXIJQLBZGY-UHFFFAOYSA-N
XLogP6.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine?
The IUPAC name of 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine (CID 11078715) is 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine?
The canonical SMILES for 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine is CSc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine?
The InChIKey is MRXCAXIJQLBZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NS/c1-26-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)25-24(17-21)20-10-6-3-7-11-20/h2-17H,1H3.
What are the key properties of 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine?
4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine has a molecular weight of 353.49 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine is sourced from PubChem (CID 11078715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).