Compound Identification
SMILES
O=C(CC12C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C9C9=C%15C%20=C%11C%13=C%19C%11=C%20C%13=C%15C%15=C%19C%20=C%13C(=C%18%11)C%11=C%20C(C%13=C1C5=C7C(C%15=C89)=C%19%13)=C2C(C%16=C3C%14=C4C%12=C6%10)=C%17%11)C1=CC=CC=C1
InChIKey
InChIKey=COKNZMFUKLYSIQ-UHFFFAOYSA-N
Formula
C68H8O
Mass
840.811
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 Alkyl-phenylketones Naphthalenes Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triphenylene - Chrysene - Alkyl-phenylketone - Naphthalene - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - 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