Compound Identification
SMILES
NCCCCC1=C(NC2=C1C=C(I)C=C2)C1=CC=CC=C1Br
InChIKey
InChIKey=NHRXBTUWQAFQJF-UHFFFAOYSA-N
Formula
C18H18BrIN2
Mass
469.164
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Indoles Bromobenzenes Heteroaromatic compounds Vinyl iodides Vinyl bromides Iodoalkenes Dialkylamines Bromoalkenes Azacyclic compounds Organopnictogen compounds Organoiodides Organobromides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrole - Indole or derivatives - Indole - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Iodoalkene - Bromoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl bromide - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available