Compound Identification
SMILES
CC1=CC=C(CN2C(CCC3=CC=C(C=C3)C(N)=N)=NC3=C2C=CC(=C3)C(=O)N(CC2=CC=C(CN)C=C2)CC2=CC(=CC=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=RIQBLSMFMPMVLF-UHFFFAOYSA-N
Formula
C41H39F3N6O
Mass
688.799
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 Toluenes Aralkylamines N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds 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 - Toluene - Aralkylamine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboximidamide - Carboxylic acid amidine - Carboxylic acid derivative - Amidine - Alkyl fluoride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Primary amine - Amine - Alkyl halide - 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