Compound Identification
SMILES
OCC(NC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)C(=O)NC1CCCC1
InChIKey
InChIKey=KGQVTPIVNLELCC-UHFFFAOYSA-N
Formula
C28H30N2O3
Mass
442.559
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 N-acyl-alpha amino acids and derivatives Serine and derivatives Alpha amino acid amides Naphthalenes N-acyl amines Secondary carboxylic acid amides Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pyrene - Phenanthrene - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Fatty amide - Fatty acyl - N-acyl-amine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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