5,10,15,20-Tetrakis(4-aminophenyl)porphyrin

• CAS: 22112-84-1
• Catalog Number: ACM22112841
• Category: Other Products
• Molecular Weight: 674.812g/mol
• Molecular Formula: C44H34N8
• Synonyms: C44H34N8; tetra-(4-aminophenyl)porphyrin; TPAPP; I14-59390; AK102897; 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin; CHEMBL376444; TR-032161; ANW-24725; 5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
• IUPAC Name: 4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
• Canonical SMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)C=C4)C9=CC=C(C=C9)N)N3)N
• InChI: InChI=1S/C44H34N8/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H,45-48H2
• InChI Key: REPFNYFEIOZRLM-UHFFFAOYSA-N
• Complexity: 965
• Covalently-Bonded Unit Count: 1
• Exact Mass: 674.291g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 6
• Heavy Atom Count: 52
• Monoisotopic Mass: 674.291g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 161A^2

Synthetic Use

Upstream Synthesis Route 1

• 22843-73-8

• 22112-84-1

Reference: [1]European Journal of Medicinal Chemistry,2015,vol. 92,p. 35 - 48

Upstream Synthesis Route 2

• 22843-73-8

• 22112-84-1
• 142781-58-6
• 142781-57-5
• 142781-55-3

Reference: [1]Journal of the American Chemical Society,1992,vol. 114,p. 6928 - 6930

Downstream Synthesis Route 1

• 22112-84-1

• 51094-17-8

Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983, p. 1082 - 1084[2] Khimiya Geterotsiklicheskikh Soedinenii, 1983, vol. 19, # 10, p. 1359 - 1361
[3] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986, vol. 22, # 4, p. 397 - 401[4] Khimiya Geterotsiklicheskikh Soedinenii, 1986, vol. 22, # 4, p. 486 - 490

Downstream Synthesis Route 2

• 22112-84-1

• 29162-73-0

Reference: [1]Semeikin, A.S.; Koifman, O.I.; Berezin, B.D.
[Chemistry of Heterocyclic Compounds, 1986, vol. 22, # 4, p. 397 - 401][Khimiya Geterotsiklicheskikh Soedinenii, 1986, vol. 22, # 4, p. 486 - 490]
[2]Current Patent Assignee: ZHEJIANG UNIVERSITY CITY COLLEGE - CN106317062, 2017, A
Location in patent: Paragraph 0038; 0039

* For details of the synthesis route, please refer to the original source to ensure accuracy.