Compound Identification
SMILES
COC(=O)C1=C(OC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C%10=C9C9=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C(C6=C8C%11=C%26C%12=C%24C%22=C%13C%20=C%14C%18=C%10%16)C6=C%25C8=C(C%10=C%11C(C%19=C%21C%10=C%238)=C%17C(=C%15C4=C79)C12%11)C3=C56)C(C)C
InChIKey
InChIKey=HZIFQICZQGPKJN-UHFFFAOYSA-N
Formula
C67H10O3
Mass
862.814
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 Sesquiterpenoids Naphthofurans Naphthalenes Vinylogous esters Methyl esters Enoate esters Dihydrofurans Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Sesquiterpenoid - Naphthofuran - Naphthalene - Dihydrofuran - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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