Compound Identification
SMILES
CCCCCCC1=CC=C(S1)C1=CC2=C(N3C(C=C4C5=C(C=C(C=C5)C5=CC=C(CCCCCC)S5)C(C5=CC=CC=C5)=[N+]4[B-]3(F)F)=C2C=C1)C1=CC=CC=C1
InChIKey
InChIKey=XRXUUXVFZJHSJY-UHFFFAOYSA-N
Formula
C49H47BF2N2S2
Mass
776.86
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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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
Isoindoles 2,5-disubstituted thiophenes Benzene and substituted derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrole - Isoindole - Isoindole or derivatives - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - 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