Compound Identification
SMILES
COC1=C(OCC(=O)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C2)C=C5)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1
InChIKey
InChIKey=NPKOVTVTRRKVGA-NRFANRHFSA-N
Formula
C31H25N3O4
Mass
503.558
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 1,4-benzodiazepines Naphthalenes N-arylamides Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Imines Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrene - Phenanthrene - Benzodiazepine - 1,4-benzodiazepine - Naphthalene - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic 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