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
InChI Key
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
Exact Mass
862.92864g/mol
Heavy Atom Count
57
MDL Number
MFCD00274642
Monoisotopic Mass
862.92864g/mol
Reaxys Registry Number
1207122
Rotatable Bond Count
0
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