Compound Identification
SMILES
CC1=CC=CC(=N1)C1=NC(CO[C@H]2C[C@H]3C[C@@H](\C=C\COC(=O)CC4=C5C=CC6=CC=CC7=C6C5=C(C=C4)C=C7)[C@@H](C[C@H]3C[C@@H]2OCC2=CC=CC(=N2)C2=NC(C)=CC=C2)\C=C\COC(=O)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C2)C=C5)=CC=C1
InChIKey
InChIKey=CJTQFEGJFGDYLS-VJQBQEGISA-N
Formula
C76H66N4O6
Mass
1131.386
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
Phenanthrenes and derivatives Bipyridines and oligopyridines Naphthalenes Methylpyridines Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrene - Phenanthrene - Bipyridine - Naphthalene - Methylpyridine - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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