Compound Identification
SMILES
C=CCOC(=O)C(CC1=CC2=C3C(C=CC4=C3C(C=C2)=CC=C4)=C1)(CC1=CC2=C3C(C=CC=C3C3=CC=CC4=C3C2=CC=C4)=C1)C#N
InChIKey
InChIKey=PVJIENDVNBYJDP-UHFFFAOYSA-N
Formula
C44H29NO2
Mass
603.721
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrenes
Alternative Parents
Phenanthrenes and derivatives Anthracenes Fatty acid esters Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pyrene - Anthracene - Phenanthrene - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
External Descriptors
Not available