Compound Identification
SMILES
COC1=C(C=C(Cl)C(=C1)C1=CC=CC=C1C(F)(F)F)C(=O)N1CC2=CC=C(N2CC2=CC=CC=C12)C(=O)N(C)CC1=CN=CC=C1
InChIKey
InChIKey=HVQDDOPOQBHUPR-UHFFFAOYSA-N
Formula
C35H28ClF3N4O3
Mass
645.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Chlorinated biphenyls
Alternative Parents
1,4-benzodiazepines Trifluoromethylbenzenes 3-halobenzoic acids and derivatives Benzamides 2-heteroaryl carboxamides Pyrrole carboxamides Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Substituted pyrroles Pyridines and derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorinated biphenyl - Benzodiazepine - 1,4-benzodiazepine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Benzoyl - Phenol ether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Substituted pyrrole - Aryl chloride - Aryl halide - Pyridine - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available