Compound Identification
SMILES
CCOC(=O)C1C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%12C%12=C%17C%16=C%16C%18=C%15C%15=C%14C%14=C%19C%13=C%11C%11=C9C(=C47)C4=C2C2=C(C%14=C7C%15=C9C%18=C%13C%16=C%14C%17=C(C8=C%10%12)C6=C%14C6=C%13C8=C9C7=C2C13C8=C56)C%19=C%114
InChIKey
InChIKey=FUPUCTKUIVFEIT-UHFFFAOYSA-N
Formula
C64H6O2
Mass
806.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Triphenylenes
-
Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Triphenylenes
Intermediate Tree Nodes
Not available
Direct Parent
Triphenylenes
Alternative Parents
Chrysenes Anthracenecarboxylic acids Phenalanes Naphthalenecarboxylic acids Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Chrysene - Triphenylene - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Phenalane - Naphthalene - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
External Descriptors
Not available