Copper perbromophthalocyanine

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Basic information

CAS: 25397-26-6
Standard SMILES: Brc1c(Br)c(Br)c2c(c1Br)-c1nc-2nc2[n-]c(nc3nc([n-]c4nc(n1)-c1c(Br)c(Br)c(Br)c(Br)c1-4)-c1c(Br)c(Br)c(Br)c(Br)c1-3)c1c(Br)c(Br)c(Br)c(Br)c21.[Cu+2]
InChIKey: GGZNCOUNFYUJCT-UHFFFAOYSA-N
Molecular formula: C32Br16CuN8
Average molar mass: 1,838.4 g/mol
Monoisotopic mass: 1,821.6476

Overview

structure showing bond distances & angles given in first source

Names & identifiers

Preferred name: Copper perbromophthalocyanine
IUPAC: copper 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecabromo-2,11,20,37,38,39-hexaza-29,40-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(38),30(37),31(36),32,34-nonadecaene
English name: copper perbromophthalocyanine
Molecular formula: C32Br16CuN8
Molecular weight: 1838.406

Names & synonyms

Copper perbromophthalocyanineCPBPC25397-26-6Copper, (1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecabromo-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, (SP-4-1)-RefChem:127875DTXSID80948254copper;5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecabromo-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-nonadecaeneCopper(2+) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecabromophthalocyanine-6,30-diide

Database identifiers

CAS: 25397-26-6
PubChem CID: 193607
DTXSID: DTXSID80948254

Properties

Computed structural properties

Topological polar surface area: 79.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 0
Heavy atoms: 57
Formal charge: 0
Complexity: 1,170

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Compound notes

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