1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyanine Copper(II)
Catalog Number
ACM14916871-3
CAS
14916-87-1
IUPAC Name
copper;5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
Synonyms
Copper(II) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyanine (purified by sublimation)
F16CuPc (purified by sublimation)
F16CuPc (purified by sublimation)
Molecular Weight
863.93
Molecular Formula
C32CuF16N8
Product Information
Canonical SMILES
C12=C(C(=C(C(=C1F)F)F)F)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=C(C(=C8F)F)F)F)C(=N7)N=C2[N-]3)C(=C(C(=C6F)F)F)F)C9=C4C(=C(C(=C9F)F)F)F.[Cu+2]
Inchi
InChI=1S/C32F16N8.Cu/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38;/q-2;+2
InChIKey
FJAOBQORBYMRNO-UHFFFAOYSA-N
Melting Point
260 °C
Purity
>98.0%TN
Appearance
Blue to Dark blue to Dark purple powder to crystal
storage
Store under inert gas
Complexity
1590
Condition To Avoid
Light Sensitive
Heavy Atom Count
57
MDL Number
MFCD00274642
Reaxys Registry Number
1207122
Rotatable Bond Count
0
Monoisotopic Mass
862.92864g/mol
Exact Mass
862.92864g/mol
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