Compound Identification
SMILES
COC1=CC(OC)=C2C(=O)C3=C(OC)C(C(C)C)=C(OC)C4=C3C3=C5C6=C(C(OC)=CC(OC)=C6C(=O)C6=C(OC)C(C(C)C)=C(OC)C4=C56)C1=C23
InChIKey
InChIKey=AYUVITIUNCGWHD-UHFFFAOYSA-N
Formula
C42H40O10
Mass
704.772
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
Phenanthro-perylenequinones Triphenylenes Chrysenes Anthracenes Cumenes Anisoles Alkyl aryl ethers Vinylogous esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-a-pyrene - Benzo-e-pyrene - Phenanthro-perylenequinone - Perylenequinone - Chrysene - Triphenylene - Phenanthrene - Anthracene - Cumene - Phenol ether - Anisole - Alkyl aryl ether - Vinylogous ester - Ether - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen 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