5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine - ≥97% , CAS No.16834-13-2

CAS: 16834-13-2 Cat. No.: T115673 Peso molecular: 618.69 Número EC: 240-858-5 PubChem CID: 135411729

GRADE & PURITY ≥97%

Synonyms

5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine

Storage

Room temperature

Shipped In

Normal

Descripción general

meso-Tetra(4-pyridyl)porphine is a pyridine substituted synthetic porphyrin.

Specifications

Sinónimos

5, 10, 15, 20-Tetra(4-pyridyl)-21H, 23H-porphine

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488202859
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202859
• Sonrisas canónicas: C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9
• IUPAC Name: 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
• InChIKey: DNZSHSJERXNJGX-UHFFFAOYSA-N
• INCHI: 1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H
• Isómeros SMILES: C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9
• WGK Alemania: 3
• PubChem CID: 135411729
• Peso molecular: 618.69
• Reaxy-Rn: 635257

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Pyridines and derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 618.700 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 618.228 Da
• Monoisotopic Mass: 618.228 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 863.000
• 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

Referencias

1. Yite Li, Liqian Liu, Tian Meng, Lei Wang, Zhigang Xie.  (2023)  Structural Engineering of Ionic MOF@COF Heterointerface for Exciton-Boosting Sunlight-Driven Photocatalytic Filter.  ACS Nano,      [PMID:36722852] [10.1021/acsnano.2c11339]

2. Honggang Zhang, Guangyao Zhai, Longfei Lei, Caiyun Zhang, Yuanyuan Liu, Zeyan Wang, Hefeng Cheng, Zhaoke Zheng, Peng Wang, Ying Dai, Baibiao Huang.  (2022)  Photo-induced photo-thermal synergy effect leading to efficient CO2 cycloaddition with epoxide over a Fe-based metal organic framework.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:35714406] [10.1016/j.jcis.2022.05.146]

3. Jiaojiao Xia, Pengyun Wang, Bin Zou, Onyinye Adesanya Idowu.  (2020)  Enhancing electrochemical sensing for catechol by biomimetic oxidase covalently functionalized graphene oxide.  BIOPROCESS AND BIOSYSTEMS ENGINEERING,  44  (2): (343-353).  [PMID:32968847] [10.1007/s00449-020-02446-x]

4. Bin Zou, Pengyun Wang, Zhenjiang Liu, Jiaojiao Xia, baihan Chen, Zhiyuan Tan.  (2019)  Biomimetic oxidase based on functionalized mesoporous SiO2 and metalloporphyrin for 5-hydroxymethylfurfural conversion.  PROCESS BIOCHEMISTRY,      [PMID:] [10.1016/j.procbio.2019.07.020]

5. Zou Bin, Chu Yanhong, Xia Jiaojiao.  (2019)  Monocrotophos detection with a bienzyme biosensor based on ionic-liquid-modified carbon nanotubes.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (13): (2905-2914).  [PMID:31011780] [10.1007/s00216-019-01743-z]

6. Yuanhai Chen, Fengru Liu, Feng Qiu, Chenbao Lu, Jialing Kang, Doudou Zhao, Sheng Han, Xiaodong Zhuang.  (2018)  Cobalt-Doped Porous Carbon Nanosheets Derived from 2D Hypercrosslinked Polymer with CoN4 for High Performance Electrochemical Capacitors.  Polymers,  10  (12): (1339).  [PMID:30961264] [10.3390/polym10121339]

7. Zhengwei Xu, Xiaoxuan Yu, Fan Gao, Mingsong Zang, Liwei Huang, Wang Liu, Jiayun Xu, Shuangjiang Yu, Tingting Wang, Hongcheng Sun, Junqiu Liu.  (2024)  Fighting bacteria with bacteria: A biocompatible living hydrogel patch for combating bacterial infections and promoting wound healing.  Acta Biomaterialia,      [PMID:38719158] [10.1016/j.actbio.2024.04.047]