Compound Identification
SMILES
COC(=O)CCCC1(c2cccs2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C137
InChIKey
InChIKey=WFRAZMANQOAXFD-UHFFFAOYSA-N
Formula
C70H12O2S
Mass
916.92
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 Naphthalenes Fatty acid methyl esters Thiophenes Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Naphthalene - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Thiophene - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic 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