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21H,23H-Porphine, 5,10,15,20-tetrakis[4-(1H-imidazol-1-yl)phenyl]-

Catalog Number
ACM1311998625-2
Product Name
21H,23H-Porphine, 5,10,15,20-tetrakis[4-(1H-imidazol-1-yl)phenyl]-
CAS
1311998-62-5
Category
Nitrogen-containing MOF ligand-multiple nitrogen-containing MOF ligand
Synonyms
5,10,15,20-Tetrakis[4-(1H-imidazole)phenyl]-21H,23H-Porphine
IUPAC Name
5,10,15,20-tetrakis(4-imidazol-1-ylphenyl)-21,23-dihydroporphyrin
Molecular Weight
878.98
Molecular Formula
C56H38N12
InChI
InChI=1S/C56H38N12/c1-9-41(65-29-25-57-33-65)10-2-37(1)53-45-17-19-47(61-45)54(38-3-11-42(12-4-38)66-30-26-58-34-66)49-21-23-51(63-49)56(40-7-15-44(16-8-40)68-32-28-60-36-68)52-24-22-50(64-52)55(48-20-18-46(53)62-48)39-5-13-43(14-6-39)67-31-27-59-35-67/h1-36,61,64H
InChI Key
YSEHAJSQGBWKME-UHFFFAOYSA-N
Purity
95%
Appearance
Purple solid
Complexity
1380
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
878.33423926g/mol
Formal Charge
0
Heavy Atom Count
68
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
878.33423926g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
129Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
9.4
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