Compound Identification
SMILES
CCCC1=C(CCC)C2=CC3=C(CCC)C4=CC5=C(C=C4C(CCC)=C3C=C2C(CCC)=C1CCC)C(CCC)=C(C(=O)OC)C(C(=O)OC)=C5CCC
InChIKey
InChIKey=UPOBILZBGZQFDR-UHFFFAOYSA-N
Formula
C50H66O4
Mass
731.074
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Pentacenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pentacenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pentacenes
Alternative Parents
Anthracenecarboxylic acids Naphthalenecarboxylic acids Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pentacene - Anthracene carboxylic acid or derivatives - Anthracene carboxylic acid - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentacenes. These are compounds containing a pentacene moiety, which is consists of five linearly fused benzene rings.
External Descriptors
Not available