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5,15-Dibromo-10,20-diphenylporphine - >98%(HPLC), high purity , CAS No.151256-86-9
Basic Description
Synonyms
5,15-DIBROMO-10,20-DIPHENYLPORPHINE | 151256-86-9 | 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin | 5,15-dibromo-10,20-diphenylporphyrin | 21H,23H-Porphine, 5,15-dibromo-10,20-diphenyl- | SCHEMBL5011842 | CHEMBL2420130 | DTXSID60458220 | VOXHYLCPLUKQCY-UHFFFAOYSA-N |
Specifications & Purity
≥98%(HPLC)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Porphyrins
Intermediate Tree Nodes
Not available
Direct Parent
Porphyrins
Alternative Parents
Benzene and substituted derivatives Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin
INCHI
InChI=1S/C32H20Br2N4/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23/h1-18,35,37H
InChIKey
XBGDWJTUQWOPHM-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)Br)N3
Isomeric SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)Br)N3
PubChem CID
11192872
Molecular Weight
620.36
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
620.300 g/mol
XLogP3
8.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
620.003 Da
Monoisotopic Mass
618.005 Da
Topological Polar Surface Area
57.400 Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
723.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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