Compound Identification
SMILES
CCCCOC1=C(C#N)C(C#N)=C(C=C1)C1=C(Cl)C=C(C=C1)C12CCC(CCC)(CC1)CC2
InChIKey
InChIKey=LKDNDEUBMTVHQI-UHFFFAOYSA-N
Formula
C29H33ClN2O
Mass
461.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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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
Biphenylcarbonitriles
Alternative Parents
Chlorinated biphenyls Phenoxy compounds Phenol ethers Benzonitriles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Nitriles Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Biphenylcarbonitrile - Chlorinated biphenyl - Benzonitrile - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Cyanide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors
Not available