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4,4′,4′′,4′′′-(Porphine-5,10,15,20-tetrayl) tetrakis(benzoic acid) - Dye content 75 %, high purity , CAS No.14609-54-2
Basic Description
Synonyms
5,10,15,20-tetra(4-carboxyphenyl)porphine | meso-Tetraphenylporphine-4,4',4'',4'''-tetracarboxylic acid | Tetracarboxyphenylporphine | Q27277036 | YSZC167 | AMY11695 | AT25589 | HHDUMDVQUCBCEY-UHFFFAOYSA-N | Nickel ionophore II, Selectophore(TM), function
Specifications & Purity
Dye content 75 %
Shipped In
Normal
Product Description
Ultra-high sensitive spectrophotometric reagent for Cu, Cd,For the simultaneous determination of metals by HPLC.
Application：
4,4′,4′′, 4′′′-(Porphine-5,10,15,20-tetrayl)tetrakis(benzoic acid) (H2TCPP) can be used to fabricate three dimensional Ru polymer complex. It can be grafted on SiO2/Nb2O5 substrate and subsequently metallized to investigate catalytic oxidation of hydrazine.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Porphyrins
Intermediate Tree Nodes
Not available
Direct Parent
Porphyrins
Alternative Parents
Tetracarboxylic acids and derivatives Benzoic acids Benzoyl derivatives Pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Tetracarboxylic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504772477
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772477
IUPAC Name
4-[10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
INCHI
InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKey
HHDUMDVQUCBCEY-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)N3)C(=O)O
Isomeric SMILES
C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)N3)C(=O)O
WGK Germany
3
RTECS
DH6488300
Molecular Weight
790.77
Reaxy-Rn
16739636
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16739636&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
790.800 g/mol
XLogP3
8.500
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
8
Exact Mass
790.206 Da
Monoisotopic Mass
790.206 Da
Topological Polar Surface Area
207.000 Ų
Heavy Atom Count
60
Formal Charge
0
Complexity
1310.000
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
Citations of This Product
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101 Citations
E2111040