Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@]2(O)C1=CC=CC(=C1)C#CC#CC1=CC2=C(C=C1)C1=NC2=NC2=NC(=NC3=C4C=CC(=CC4=C(N3)N=C3NC(=N1)C1=C3C=CC(=C1)S(O)(=O)=O)S(O)(=O)=O)C1=C2C=CC(=C1)S(O)(=O)=O
InChIKey
InChIKey=AJPQXZDXWUHVRM-XDWVFVHPSA-N
Formula
C60H44N8O11S3
Mass
1149.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Phthalocyanines
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Phthalocyanines
Intermediate Tree Nodes
Not available
Direct Parent
Phthalocyanines
Alternative Parents
Estrogens and derivatives 17-hydroxysteroids 3-hydroxysteroids Phenanthrenes and derivatives Tetralins 1-sulfo,2-unsubstituted aromatic compounds Isoindoles 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Pyrroles Sulfonyls Tertiary alcohols Organosulfonic acids Cyclic alcohols and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalocyanine skeleton - Estrogen-skeleton - 3-hydroxysteroid - Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Steroid - Phenanthrene - Tetralin - Arylsulfonic acid or derivatives - Isoindole - Isoindole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary alcohol - Pyrrole - Sulfonyl - Organosulfonic acid - Cyclic alcohol - Heteroaromatic compound - Azacycle - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalocyanines. These are cyclic tetrapyrroles that contain a phthalocyanine skeleton, which consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.
External Descriptors
Not available