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2,3,7,8,12,13,17,18-Octaethyl-21h,23h-porphine

Catalog NumberACM2683821-5

CAS Number2683-82-1

CategoryOther Materials

2,3,7,8,12,13,17,18-Octaethyl-21h,23h-porphine
Synonyms
Octaethylporphine
IUPAC Name
2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin
Molecular Weight
534.78
Molecular Formula
C36H46N4
Canonical SMILES
CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC
InChI
XFIIGRBIXXECHR-UHFFFAOYSA-N
InChI Key
InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-38H,9-16H2,1-8H3
Melting Point
322 °C
Purity
97%
Appearance
Atropurpureus solid
Application
2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine, appearing as dark purple crystals or crystalline powder, is a porphyrin derivative with significant potential in scientific applications. Its unique singlet and triplet energy transfer dynamics in axial porphyrin-anthracene complexes indicate that it may play a crucial role in developing structures that enable photon upconversion. This capability positions it as a valuable component in advanced photonic and energy conversion technologies.
Complexity
725
Covalently-Bonded Unit Count
1
EC Number
220-243-8
Exact Mass
534.37224748
Formal Charge
0
Heavy Atom Count
40
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
MeSH Entry Terms
octaethylporphyrin
Monoisotopic Mass
534.37224748
Rotatable Bond Count
8
Topological Polar Surface Area
57.4 Ų
XLogP3
8.5
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