5,10,15,20-Tetraphenyl-21H,23H-porphine copper(II) - ≥97% , CAS No.14172-91-9

CAS: 14172-91-9 Cat. No.: T302845 Molecular Weight: 676.27 PubChem CID: 135741320

GRADE & PURITY ≥97%

Synonyms

BQWXRCGBXCQIAB-UHFFFAOYSA-N | CID 135741320 | Copper;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin | YSWG691 | A911195 | Copper (II) Tetraphenylporphyrin | SY072708 | Copper(II) 5,10,15,20-tetraphenylporphyrin | 5,10,15,20-Tetraphenyl-21H,23H-porphine cop

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

BQWXRCGBXCQIAB-UHFFFAOYSA-N | CID 135741320 | Copper;5, 10, 15, 20-tetraphenyl-21, 23-dihydroporphyrin | YSWG691 | A911195 | Copper (II) Tetraphenylporphyrin | SY072708 | Copper(II) 5, 10, 15, 20-tetraphenylporphyrin | 5, 10, 15, 20-Tetraphenyl-21H, 23H-porphine cop

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488202987
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202987
• 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=CC=C8)C=C4)C9=CC=CC=C9)N3.[Cu+2]
• IUPAC Name: copper;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
• InChIKey: BQWXRCGBXCQIAB-UHFFFAOYSA-N
• INCHI: 1S/C44H30N4.Cu/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28,45,48H;/q;+2
• 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=CC=C8)C=C4)C9=CC=CC=C9)N3.[Cu+2]
• PubChem CID: 135741320
• Molecular Weight: 676.27

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: Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic copper salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic copper salt - Organic salt - 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

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

Chemical and Physical Properties

• Sensitivity: Light Sensitive
• Melt Point(°C): ＞300℃
• Molecular Weight: 678.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 677.177 Da
• Monoisotopic Mass: 677.177 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 49
• Formal Charge: 2
• Complexity: 851.000
• 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: 2

XLogP3

References

1. Jiyuan Xue, Bingcheng Shen, Juan Wang, Juan Li, Hongran Zhao, Tong Zhang.  (2025)  Highly selective room temperature NO2 detection via π-back bonding in CuTPP-functionalized conductive polymer sensors.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.138991]