Compound Identification
SMILES
OC(=O)C1=CC=C(CN2C=NC3=CN=C(C=C3C2=O)C(=O)NCC2=CC(F)=CC=C2)C=C1.OC(=O)C1=CC=C(CN2C=NC3=CN=C(C=C3C2=O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=QEOQTQWQBWYTNL-UHFFFAOYSA-N
Formula
C47H34F4N8O8
Mass
914.831
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
Pyrido[3,4-d]pyrimidines Pyridinecarboxylic acids and derivatives Benzoic acids 2-heteroaryl carboxamides Benzoyl derivatives Pyrimidones Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - Pyrido[3,4-d]pyrimidine - Pyridopyrimidine - Benzoic acid or derivatives - Benzoic acid - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Halobenzene - Fluorobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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