Compound Identification
SMILES
N#CC1=CC2=C(C=C1)C1=C(C=CC(=C1)C1=CC=C(C=C1)C1=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C1)C1=NC3=CC=CC=C3N21
InChIKey
InChIKey=YCBZSASDJXCGDR-UHFFFAOYSA-N
Formula
C42H23N3
Mass
569.667
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrenes
Alternative Parents
Phenylnaphthalenes Phenanthridines and derivatives Phenanthrenes and derivatives Isoquinolines and derivatives Imidazo[1,2-a]pyridines Benzimidazoles Pyridines and derivatives N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylnaphthalene - Pyrene - Benzoquinoline - Phenanthrene - Phenanthridine - Isoquinoline - Naphthalene - Quinoline - Imidazo[1,2-a]pyridine - Benzimidazole - Pyridine - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
External Descriptors
Not available