Compound Identification
SMILES
BrC1=CC=CC2=C1C1=CC3=C4C5=C(C=CC(C2=O)=C15)C=C1C2=C(Br)C=CC(Br)=C2C(=O)C(C=C3)=C41
InChIKey
InChIKey=XEFBBRKOUIBPNT-UHFFFAOYSA-N
Formula
C30H11Br3O2
Mass
643.128
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 Anthracenes Aryl bromides Vinylogous halides Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-a-pyrene - Chrysene - Phenanthrene - Anthracene - Aryl halide - Aryl bromide - Vinylogous halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - 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