Structure

5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin, 98%

CAS
22112-78-3
Catalog Number
ACM22112783
Category
Organic & Printed Electronics
Molecular Weight
734.856g/mol
Molecular Formula
C48H38N4O4;

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Specification

Synonyms
112T783; ST51044495; ACMC-209fs6; SCHEMBL949511; meso-Tetrakis(4-methoxyphenyl)porphine; MCULE-3710617201; AC-11777; CT-436; Acm₂ 2112783; SBB059535;
IUPAC Name
5,10,15,20-tetrakis(4-methoxyphenyl)-21,23-dihydroporphyrin;
SMILES
COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)N3;
InChI
InChI=1S/C48H38N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,49,52H,1-4H3;
InChI Key
PJOJZHHAECOAFH-UHFFFAOYSA-N;
Complexity
1030
Covalently-Bonded Unit Count
1
Exact Mass
734.289g/mol
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
56
Monoisotopic Mass
734.289g/mol
NSC Number
241210
Rotatable Bond Count
8
Topological Polar Surface Area
94.3A^2

Upstream Synthesis Route 1

  • 109-97-7
  • 123-11-5
  • 22112-78-3

Reference: [1]Naik, Rajan; Joshi, Padmakar; Kaiwar, Sharada P.; Deshpande, Rajesh K.
[Tetrahedron, 2003, vol. 59, # 13, p. 2207 - 2213]

Downstream Synthesis Route 1

  • 22112-78-3
  • 51094-17-8

Reference: [1] Journal of Porphyrins and Phthalocyanines, 2017, vol. 21, # 2, p. 88 - 102

Downstream Synthesis Route 2

  • 22112-78-3
  • 62769-24-8

Reference: [1] Organic Process Research and Development, 2006, vol. 10, # 4, p. 757 - 761

Downstream Synthesis Route 3

  • 22112-78-3
  • 62769-24-8

Reference: [1] Journal of Coordination Chemistry, 2011, vol. 64, # 22, p. 3950 - 3959

Downstream Synthesis Route 4

  • 22112-78-3
  • 51094-17-8

Reference: [1]Sánchez-Bojorge, Nora A.; Flores-Armendáriz, Simón; Fuentes-Montero, María E.; Ramos-Sánchez, Victor H.; Zaragoza-Galán, Gerardo; Rodríguez-Valdez, Luz M.
[Journal of Porphyrins and Phthalocyanines, 2017, vol. 21, # 2, p. 88 - 102]

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

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