1066-33-7 Purity
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Specification
The molecular formula is C32H20N12Ni.
The synonyms include 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-6,15,24,33-tetramine;nickel(2+), MFCD00210375, and 2,9,16,23-Tetraamino-phthalocyanine nickel.
The molecular weight is 631.3 g/mol.
It was created on 2007-02-07 and last modified on 2023-12-30.
The IUPAC name is 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-6,15,24,33-tetramine;nickel(2+).
The InChIKey is GJMLEICURSJLEK-UHFFFAOYSA-N.
The canonical SMILES representation is C1=CC2=C(C=C1N)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)N)C(=N7)N=C2[N-]3)N)C9=C4C=CC(=C9)N.[Ni+2].
It has 4 hydrogen bond donor counts.
The heavy atom count is 45.
The topological polar surface area is 180 Ų.