Compound Identification
SMILES
[Ni].[OH2+]\C(=N/N=C/C1=CC=C(C=C1)C(F)(F)F)C1=CC=NC=C1.[OH2+]\C(=N/N=C/C1=CC=C(C=C1)C(F)(F)F)C1=CC=NC=C1
InChIKey
InChIKey=PCQOUWOXBDVRQS-QHQAJOGDSA-P
Formula
C28H22F6N6NiO2
Mass
647.207
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
Pyridines and derivatives Azines Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - Azine - Pyridine - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic transition metal salt - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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