Compound Identification
SMILES
N#CC1=C(N=C2CC34C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%11C%11=C%10C%10=C%16C%17=C%18C%19=C%20C%21=C%22C%23=C%24C%25=C%26C%27=C(C7=C9C%12=C%27C%13=C%25C%23=C%14C%21=C%15C%19=C%11%17)C7=C%26C9=C(C%11=C%12C(C%20=C%22C%11=C%249)=C%18C(=C%16C5=C8%10)C3%12CC2=N1)C4=C67)C#N
InChIKey
InChIKey=RJEQCMANPYTFEU-UHFFFAOYSA-N
Formula
C68H4N4
Mass
876.808
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 Pyrazines Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triphenylene - Chrysene - Naphthalene - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen 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