5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin - ≥95% , CAS No.95051-10-8

CAS: 95051-10-8 Cat. No.: C742684 Molecular Weight: 658.76

GRADE & PURITY ≥95%

Synonyms

5-(4-Carboxyphenyl)-10,15,20-triphenyl-21H,23H-porphine | 5-(4'-carboxyphenyl)-10,15,20-triphenylporphyrin | 5-(4-carboxyphenyl)-10,15,20-triphenyl-porphyrin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5-(4-Carboxyphenyl)-10, 15, 20-triphenyl-21H, 23H-porphine | 5-(4'-carboxyphenyl)-10, 15, 20-triphenylporphyrin | 5-(4-carboxyphenyl)-10, 15, 20-triphenyl-porphyrin

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=CC=C9)N3
• IUPAC Name: 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoic acid
• InChIKey: GZTMFXHPFNRUNU-UHFFFAOYSA-N
• INCHI: 1S/C45H30N4O2/c50-45(51)32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H,(H,50,51)
• Isomeric SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=CC=C9)N3
• Molecular Weight: 658.76
• Reaxy-Rn: 17262091
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17262091&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrapyrroles and derivatives
      • Subclass Porphyrins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Benzoic acids Benzoyl derivatives Pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 658.700 g/mol
• XLogP3: 9.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 658.237 Da
• Monoisotopic Mass: 658.237 Da
• Topological Polar Surface Area: 94.700 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1140.000
• 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

References

1. Mofan Li, Mengxin Wang, Haonan Wang, Yang Sun, Yongyue Zhang, Shuyu Xu, Tianjiao Zhang, Shiti Shama, Xiaolong Liang, Shumin Wang.  (2026)  Ultrasound Controlled-Release Hydrogel Promotes Diabetic Wound Healing via Neuroimmune Modulation and Synergistic ROS Scavenging.  Advanced Science,      [PMID:41560627] [10.1002/advs.202516882]