Compound Identification
SMILES
[3H]CSCCOC(=O)C1=CC=C(C=C1)C1=C2C=CC(=N2)C(=C2NC(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1N2)C1=C(F)C(F)=C(F)C(F)=C1F)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C1=C2NC(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C(N2)C(=C2C=CC1=N2)C1=C(C)C=C(C)C=C1C)C1=C(C)C=C(C)C=C1C)C1=C(C)C=C(C)C=C1C)C1=C(F)C(F)=C(F)C(F)=C1F
InChIKey
InChIKey=TXTPTTARIXNCJM-OAWTUDSLSA-N
Formula
C103H72F10N8O2S
Mass
1677.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Porphyrins
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Porphyrins
Intermediate Tree Nodes
Not available
Direct Parent
Porphyrins
Alternative Parents
Benzoic acid esters Benzoyl derivatives Fluorobenzenes Aryl fluorides Pyrroles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
External Descriptors
Not available