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5,10,15,20-Tetra(4-pyridyl)porphyrin

Catalog Number ACM16834132-2
CAS 16834-13-2
Structure 5,10,15,20-Tetra(4-pyridyl)porphyrin
Description Alfa Chemistry offers 5,10,15,20-Tetra(4-pyridyl)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-Tetra(4-pyridyl)-21H,23H-porphine
IUPAC Name 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
Molecular Weight 618.7
Molecular Formula C40H26N8
Canonical 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;
InChI DNZSHSJERXNJGX-UHFFFAOYSA-N
InChI Key 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
Melting Point 90 °C
Purity >93.0%(HPLC)
Density 1.335±0.06 g/cm3(Predicted)
Appearance Gray to Dark purple to Black 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.
Storage Store under inert gas
Complexity 863
Covalently-Bonded Unit Count 1
EC Number 240-858-5
Exact Mass 618.228g/mol
Heavy Atom Count 48
Isomeric 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
MDL Number MFCD00005183
Monoisotopic Mass 618.228g/mol
Rotatable Bond Count 4
Topological Polar Surface Area 109A^2

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