Compound Identification
SMILES
CC1(C)CC(COC(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C3=CC=CC=C23)CC(C)(C)N1O
InChIKey
InChIKey=JVRALYMPNFPWDG-UHFFFAOYSA-N
Formula
C31H31NO3
Mass
465.593
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Pyrenes
- Subclass Benzopyrenes
-
Class
Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Benzopyrenes
Intermediate Tree Nodes
Not available
Direct Parent
Benzopyrenes
Alternative Parents
Chrysenes Anthracenecarboxylic acids Naphthalenecarboxylic acids Piperidines Carboxylic acid esters N-organohydroxylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-a-pyrene - Chrysene - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - Anthracene - Phenanthrene - 2-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid or derivatives - Piperidine - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
External Descriptors
Not available