1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone

C19H15NOS — CID 14615662

IUPAC1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C19H15NOS/c1-13(21)18-16(14-8-4-2-5-9-14)12-17(20-19(18)22)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22)
InChIKeyHDBKFKZXOHCZCS-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.28
Rot. Bonds3

About 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone

1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone (PubChem CID 14615662) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone
PubChem CID14615662
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C19H15NOS/c1-13(21)18-16(14-8-4-2-5-9-14)12-17(20-19(18)22)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22)
InChIKeyHDBKFKZXOHCZCS-UHFFFAOYSA-N
XLogP5.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
3-amino-4,6-diphenyl-1H-pyridine-2-thione
CID 71159912
bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
CID 153465332
1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone
CID 23402126
1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone
CID 3598277
4-methyl-6-phenyl-1H-pyridine-2-thione
CID 21452512
3,5-diphenyl-1H-pyrrole-2-carbohydrazide
CID 4617212
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
CID 102410586
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
1-(2,3-dihydroxy-6-phenylphenyl)ethanone
CID 173305847

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone?
The IUPAC name of 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone (CID 14615662) is 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone?
The canonical SMILES for 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone is CC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S.
What is the InChIKey of 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone?
The InChIKey is HDBKFKZXOHCZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c1-13(21)18-16(14-8-4-2-5-9-14)12-17(20-19(18)22)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22).
What are the key properties of 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone?
1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone has a molecular weight of 305.40 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone is sourced from PubChem (CID 14615662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).