Compound Identification
SMILES
NCC1=CC=C(CN(CC2=CC(=CC=C2)C(F)(F)F)C(=O)C2=CC3=C(C=C2)N(CC2=CC=CCC2=S)C(CCC2=CC=C(C=C2)C(N)=N)=N3)C=C1
InChIKey
InChIKey=CFNWFPCSBIMQTB-UHFFFAOYSA-N
Formula
C40H37F3N6OS
Mass
706.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzimidazoles Phenylmethylamines Benzylamines Aralkylamines N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioketones Amino acids and derivatives Azacyclic compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzimidazole - Benzylamine - Phenylmethylamine - Aralkylamine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Thioketone - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboximidamide - Thiocarbonyl group - Organofluoride - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available