Compound Identification
SMILES
OC(CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@H]12)=NCC1=CC=[N+](CC2=CC=C(C=C2)C2=C3C=CC(=N3)C(=C3NC(C=C3)=C(C3=NC(C=C3)=C(C3=CC=C2N3)C2=CC=C(C[N+]3=CC=C(CN=C(O)CCCC[C@@H]4SC[C@@H]5N=C(O)N[C@H]45)C=C3)C=C2)C2=CC=C(C[N+]3=CC=C(CN=C(O)CCCC[C@@H]4SC[C@@H]5N=C(O)N[C@H]45)C=C3)C=C2)C2=CC=C(C[N+]3=CC=C(CN=C(O)CCCCC4SC[C@@H]5N=C(O)N[C@@H]45)C=C3)C=C2)C=C1
InChIKey
InChIKey=VPJIUGPMJRNIAO-MAZXTAQGSA-R
Formula
C112H122N20O8S4
Mass
2004.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Porphyrins
-
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
Pyridinium derivatives Benzene and substituted derivatives Thiolanes Pyrroles Imidazolines Heteroaromatic compounds Isoureas Dialkylthioethers Carboximidamides Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - 2-imidazoline - Heteroaromatic compound - Pyrrole - Thiolane - Isourea - Carboximidic acid derivative - Thioether - Carboximidic acid - Carboximidamide - Azacycle - Dialkylthioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic cation - 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