Compound Identification
SMILES
CCCCC(C(CC(C)C)C(=O)NC1N=C(C2=CC=CC=C2)C2=CC=CC=C2N(CC2=CC=CC(=C2)C2=CC(Cl)=C(F)C=C2)C1=O)C(N)=O
InChIKey
InChIKey=DRUSPBYGSPOJKK-UHFFFAOYSA-N
Formula
C40H42ClFN4O3
Mass
681.25
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
-
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
N-acyl-alpha amino acids and derivatives 1,4-benzodiazepines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Primary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorinated biphenyl - N-acyl-alpha amino acid or derivatives - 1,4-benzodiazepine - Benzodiazepine - Alpha-amino acid or derivatives - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Fatty amide - N-acyl-amine - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Ketimine - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organic oxygen compound - Organic oxide - Organooxygen compound - Imine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organochloride - 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