Compound Identification
SMILES
COC1=C(C=CC(NC2=NN(C(N)=N2)C2=CC=C(C=C2)C2=CC=CC(=C2)C#N)=C1)C1=CN=CO1
InChIKey
InChIKey=BUBNTROTRDRKQE-UHFFFAOYSA-N
Formula
C25H19N7O2
Mass
449.474
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
-
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
Phenyl-1,3-oxazoles Phenyl-1,2,4-triazoles Methoxyanilines Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers Heteroaromatic compounds Secondary amines Oxacyclic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Phenyltriazole - Phenyl-1,2,4-triazole - Phenyl-1,3-oxazole - Methoxyaniline - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Anisole - Methoxybenzene - Benzonitrile - Alkyl aryl ether - Triazole - 1,2,4-triazole - Oxazole - Azole - Heteroaromatic compound - Oxacycle - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Primary amine - Organic nitrogen 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