1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone

C23H17NOS — CID 2222844

IUPAC1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
SMILESO=C(CSc1cccc2cccnc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17NOS/c25-21(16-26-22-10-4-8-20-9-5-15-24-23(20)22)19-13-11-18(12-14-19)17-6-2-1-3-7-17/h1-15H,16H2
InChIKeyLNVKZBWVGCKPEK-UHFFFAOYSA-N
MW355.46 g/mol
LogP5.88
Rot. Bonds5

About 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone

1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone (PubChem CID 2222844) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
PubChem CID2222844
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
SMILESO=C(CSc1cccc2cccnc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17NOS/c25-21(16-26-22-10-4-8-20-9-5-15-24-23(20)22)19-13-11-18(12-14-19)17-6-2-1-3-7-17/h1-15H,16H2
InChIKeyLNVKZBWVGCKPEK-UHFFFAOYSA-N
XLogP5.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
2-(1,10-phenanthrolin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone
CID 45051067
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
2-quinolin-8-ylsulfanylacetonitrile
CID 2143520
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
1-(1-adamantyl)-2-quinolin-8-ylsulfanylethanone;hydrochloride
CID 18462542
N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide
CID 17385990

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone?
The IUPAC name of 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone (CID 2222844) is 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone.
What is the SMILES notation for 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone?
The canonical SMILES for 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone is O=C(CSc1cccc2cccnc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone?
The InChIKey is LNVKZBWVGCKPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NOS/c25-21(16-26-22-10-4-8-20-9-5-15-24-23(20)22)19-13-11-18(12-14-19)17-6-2-1-3-7-17/h1-15H,16H2.
What are the key properties of 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone?
1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone has a molecular weight of 355.46 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone is sourced from PubChem (CID 2222844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).