[1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluoro-29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]nickel

• Catalog: OFC128653349
• CAS: 128653-34-9
• Category: Fluorinated Metal Complexes
• Synonyms: Nickel(II) Hexadecafluoroophthalocyanine
• Purity: 98%

• IUPAC Name: 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;nickel(2+)
• InChI: InChI=1S/C32F16N8.Ni/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: URIMSIWGZBACEM-UHFFFAOYSA-N
• Isomeric 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.[Ni+2]

• Molecular Formula: C32F16N8Ni
• Molecular Weight: 859.06
• Storage: Inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 0
• Exact Mass: 857.934384 g/mol
• Monoisotopic Mass: 857.934384 g/mol
• Topological Polar Surface Area: 79.3Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1170