1-benzyl-2-phenylquinoline-4-thione

C22H17NS — CID 11381842

IUPAC1-benzyl-2-phenylquinoline-4-thione
SMILESS=c1cc(-c2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C22H17NS/c24-22-15-21(18-11-5-2-6-12-18)23(16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)22/h1-15H,16H2
InChIKeyMSYKKVNGMOBJKU-UHFFFAOYSA-N
MW327.45 g/mol
LogP6.09
Rot. Bonds3

About 1-benzyl-2-phenylquinoline-4-thione

1-benzyl-2-phenylquinoline-4-thione (PubChem CID 11381842) has the molecular formula C22H17NS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-benzyl-2-phenylquinoline-4-thione.

Molecular Properties

Compound Name1-benzyl-2-phenylquinoline-4-thione
PubChem CID11381842
Molecular FormulaC22H17NS
Molecular Weight327.45 g/mol
Exact Mass327.11
IUPAC Name1-benzyl-2-phenylquinoline-4-thione
SMILESS=c1cc(-c2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C22H17NS/c24-22-15-21(18-11-5-2-6-12-18)23(16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)22/h1-15H,16H2
InChIKeyMSYKKVNGMOBJKU-UHFFFAOYSA-N
XLogP6.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
1-benzylindole-2,3-diamine
CID 142192316
1-benzyl-2-fluoro-3,5-diphenylpyrrole
CID 134836340
3-benzyl-4-phenyl-1,3-thiazole-2-thione
CID 4601338
1-benzyl-2-phenylindole-5-carbonitrile
CID 134943475
1-benzyl-7-methyl-2-phenylindole
CID 155931625
9-benzyl-2-bromocarbazole
CID 123133636
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
1-benzyl-4-(3-chlorophenyl)quinolin-2-one
CID 166442707
5-(9-benzylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 170946861
1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
CID 134913635

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylquinoline-4-thione?
The IUPAC name of 1-benzyl-2-phenylquinoline-4-thione (CID 11381842) is 1-benzyl-2-phenylquinoline-4-thione.
What is the SMILES notation for 1-benzyl-2-phenylquinoline-4-thione?
The canonical SMILES for 1-benzyl-2-phenylquinoline-4-thione is S=c1cc(-c2ccccc2)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-2-phenylquinoline-4-thione?
The InChIKey is MSYKKVNGMOBJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NS/c24-22-15-21(18-11-5-2-6-12-18)23(16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)22/h1-15H,16H2.
What are the key properties of 1-benzyl-2-phenylquinoline-4-thione?
1-benzyl-2-phenylquinoline-4-thione has a molecular weight of 327.45 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenylquinoline-4-thione is sourced from PubChem (CID 11381842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).