Products 39001-64-4

CAS 39001-64-4 appears in our catalog under these names: 4,4',4'',4'''-Tetra-tert-butylphthalocyanine copper(II), 98%, 98%, Copper(II) (7E,14E,21E)–3,10,17,24–tetra–tert–butyl–6H,29H–phthalocyanine–6,29–diide, Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine, 98%. Offered by: Chemat, GLPBio, Ambeed. Available pack sizes: 100mg, 250mg, 10mg, 1g.

Structural formula: {0} (CAS {1})

Copper 6,15,24,33-tetratert-butyl-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 (CAS 39001-64-4) is a chemical compound with the molecular formula C48H48CuN8 and a molecular weight of 800.5 g/mol. IUPAC name: copper 6,15,24,33-tetratert-butyl-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. InChIKey: IDACJLJAKMQWEW-UHFFFAOYSA-N.

Identity
Molecular formulaC48H48CuN8
Molecular weight800.5 g/mol
IUPAC namecopper 6,15,24,33-tetratert-butyl-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
InChIKeyIDACJLJAKMQWEW-UHFFFAOYSA-N
SMILESCC(C)(C)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(C)(C)C)C(=N7)N=C2[N-]3)C(C)(C)C)C9=C4C=C(C=C9)C(C)(C)C.[Cu+2]

Computed by PubChem (NCBI)