Compound Identification
SMILES
[Zr].CC(C)[CH2-].CC(C)[CH2-].CC(C)C1=CC(C(C)C)=C([N-]CC(C)(C[N-]C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C2=CC=CC[N-]2)C(=C1)C(C)C
InChIKey
InChIKey=MKHDHDUCMHXCGI-UHFFFAOYSA-N
Formula
C47H76N3Zr
Mass
774.373
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Dihydropyridines Organic transition metal salts Carbene-type 1,3-dipolar compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Saturated hydrocarbons Organic anions
Molecular Framework
Not available
Substituents
Phenylpropane - Cumene - Dihydropyridine - Hydropyridine - Azacycle - Organic transition metal salt - Organoheterocyclic compound - Carbene-type 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Saturated hydrocarbon - Organic anion - Hydrocarbon - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available