RefChem:578921

copper 6,8,15,17,24,26,33,35-octachloro-2,11,20,37,39,40-hexaza-29,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,30(37),31(36),32,34-nonadecaene

Also Known As: Copper, (1,3,8,10,15,17,22,24-octachloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-|[1,3,8,10,15,17,22,24-octachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper|Copper(2+) 2,4,9,11,16,18,23,25-octachlorophthalocyanine-6,29-diide|Copper, (1,3,8,10,15,17,22,24-octachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-|(1,3,8,10,15,17,22,24-Octachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper|Copper, [1,3,8,10,15,17,22,24-octachloro-29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-|Copper, [1,3,8,10,15,17,22,24-octachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-

Molecular Formula	C32H8Cl8CuN8
Molecular Weight	846.76764 g/mol
LogP	11.2553
Topological Polar Surface Area	79.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	0
Exact Mass	846.76764
Monoisotopic Mass	846.76764
Heavy Atoms	49
Complexity	1020.0

Chemical Identifiers

CAS Number	23970-06-1
SMILES	C1=C(C=C(C2=C1C3=NC2=NC4=NC(=NC5=NC(=NC6=C7C=C(C=C(C7=C([N-]6)[N-]3)Cl)Cl)C8=C5C=C(C=C8Cl)Cl)C9=C4C=C(C=C9Cl)Cl)Cl)Cl.[Cu+2]
InChIKey	BEYOWWQAPXEJAM-UHFFFAOYSA-N