Compound Identification
SMILES
CC1=CC=CC=C1C1=C2C3=CC4=C5C6=C(C=CC(=C36)C2=C(C2=CC=CC=C2)C2=CC=CC=C12)C1=C2C3=C(C=C1)C1=C(C=CC6=CC=CC=C16)C3=CC(C=C4)=C52
InChIKey
InChIKey=SJLRJPFVERTQOQ-UHFFFAOYSA-N
Formula
C55H30
Mass
690.845
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
Linear diarylheptanoids Arylnaphthalene lignans Triphenylenes Anthracenes Toluenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-e-pyrene - Linear 1,7-diphenylheptane skeleton - Arylnaphthalene lignan skeleton - Triphenylene - Phenanthrene - Anthracene - Toluene - Monocyclic benzene moiety - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic 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