Compound Identification
SMILES
CC12C3=C4C5=C6C7=C8C5=C5C9=C%10C%11=C5C4=C1C1=C%11C4=C5C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%14=C%11C%11(C)C%18=C%14C%18=C%17C%17(C)C%16=C%16C%19=C%20C%21=C(C%13=C%15%19)C(=C4%12)C1(C)C%21=C2C1=C%20C%16(C)C2=C4C(C6=C3C14C)=C1C7=C(C3=C8C9=C(C%11=C%105)C%143C)C%18(C)C1=C%172
InChIKey
InChIKey=KQAPFIJKYLLBDH-UHFFFAOYSA-N
Formula
C78H24
Mass
961.05
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
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triphenylene - Tetracene - Chrysene - Tetralin - Aromatic hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - 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