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Structure

5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin

CAS
74684-34-7
Catalog Number
ACM74684347
Category
Other Products
Molecular Weight
854.96
Molecular Formula
C52H46N4O8

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Specification

Description
Alfa Chemistry offers 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
Synonyms
5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)-21H,23H-porphine
IUPAC Name
5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,23-dihydroporphyrin;
Canonical SMILES
COC1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)OC)OC)C8=CC(=CC(=C8)OC)OC)C=C4)C9=CC(=CC(=C9)OC)OC)N3)OC;
InChI
InChI=1S/C52H46N4O8/c1-57-33-17-29(18-34(25-33)58-2)49-41-9-11-43(53-41)50(30-19-35(59-3)26-36(20-30)60-4)45-13-15-47(55-45)52(32-23-39(63-7)28-40(24-32)64-8)48-16-14-46(56-48)51(44-12-10-42(49)54-44)31-21-37(61-5)27-38(22-31)62-6/h9-28,53,56H,1-8H3;
InChI Key
YNXRFPUCCCJMPX-UHFFFAOYSA-N;
Appearance
Dark red to Dark purple to Dark blue powder to crystal
Application
The porphyrin metal complexes are important in-vivo, because they are included in chlorophyll functioning photo absorption and photo electron transfer for photosynthesis, and also included in heme transporting oxygen in blood. In addition, porphyrinato metal complexes are useful for photoelectron functional materials, metal complex catalysts and molecular electrical conductors.
Absorbance
(E1%1cm) min. 5500(CHCl2, 418.0 to 422.0 nm)
Absorption Wavelength
(max.) 420(CH2Cl2) nm
Complexity
1200
Condition To Avoid
Air Sensitive
Covalently-Bonded Unit Count
1
Exact Mass
854.332g/mol
Features And Benefits
Chemical modifications of substituted groups, metal centers, and axial ligands on the porphyrinato metal complexes show various functionalities. Normal porphyrin complexes have sharp absorptions, around 400-500 nm, and the Q band around 500-700 nm which is a relatively weak absorption. Molar absorption coefficients of the Soret band are up to the order of 106 M/cm. The chlorophyll and porphyrinato zinc complexes hardly show energy relaxation of absorbed light, but easily show photoelectron transfer.
H-Bond Acceptor
10
H-Bond Donor
2
Heavy Atom Count
64
MDL Number
MFCD02093501
Monoisotopic Mass
854.332g/mol
Physical State
(20 deg.C) Solid
Rotatable Bond Count
12
Storage Conditions
Store under inert gas
Topological Polar Surface Area
131A^2

Upstream Synthesis Route 1

  • 109-97-7
  • 7311-34-4
  • 74684-34-7

Reference: [1]Current Patent Assignee: CHINESE ACADEMY OF SCIENCES - CN109824679, 2019, A
Location in patent: Paragraph 0058-0061

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