Compound Identification
SMILES
CC(C)C1=CC=CC=C1C1=C(C=CC(=C1)C(OCC1=CC=CC=C1)C1=CN=CN1C)C#N
InChIKey
InChIKey=HTSOSVCTIKAESJ-UHFFFAOYSA-N
Formula
C28H27N3O
Mass
421.544
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
Phenylpropanes Cumenes Benzylethers Benzonitriles N-substituted imidazoles Heteroaromatic compounds Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Benzylether - Cumene - Phenylpropane - Benzonitrile - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic 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