Compound Identification
SMILES
CC(C)(C)C1=CC=C(COC(=O)C2(C(=O)OCC3=CC=C(C=C3)C(C)(C)C)C34C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%11C9=C9C%11=C%16C%17=C%18C(C%14=C%14C%19=C%13C%13=C%12C%12=C%10C7=C7C%12=C%10C%13=C%12C%19=C%13C%14=C%18C%14=C%17C%17=C(C%18=C%14C%13=C%13C%12=C%10C(=C57)C3=C%18%13)C24C2=C%17C%16=C9C8=C62)=C%15%11)C=C1
InChIKey
InChIKey=MQROQIJBNQADFA-UHFFFAOYSA-N
Formula
C85H30O4
Mass
1115.171
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 Benzyloxycarbonyls Phenylpropanes Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Chrysene - Triphenylene - Benzyloxycarbonyl - Naphthalene - Phenylpropane - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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