Zinc 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecafluoro-29H,31H-phthalocyanine

• Catalog Number: ACM31396846
• Product Name: Zinc 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecafluoro-29H,31H-phthalocyanine
• CAS: 31396-84-6
• Category: Organic & Printed Electronics
• Synonyms: ZINC 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-HEXADECAFLUORO-29H,31H-PHTHALOCYANINE;zinc 1,2,3,4,8,9,10,11,15,16,17,18,22,23;ZINC 1,2,3,4,8,9,10,11,15,16,17,18,22,23 , 24,25-HEXADECAFLUORO-PHTHALOCYANINE;Zinc 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hex
• IUPAC Name: zinc;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
• Molecular Weight: 865.7g/mol
• Molecular Formula: C32F16N8Zn
• 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.[Zn+2]
• InChI: InChI=1S/C32F16N8.Zn/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: BEAYCAVYGQXGEJ-UHFFFAOYSA-N
• Complexity: 1590
• Covalently-Bonded Unit Count: 2
• Exact Mass: 863.928184g/mol
• Formal Charge: 0
• H-Bond Acceptor: 20
• H-Bond Donor: 0
• Heavy Atom Count: 57
• Monoisotopic Mass: 863.928184g/mol
• Rotatable Bond Count: 0