(Trinitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper
Basic information
- CAS
89139-22-0- Standard SMILES
O=[N+]([O-])c1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2c([N+](=O)[O-])c1[N+](=O)[O-])-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Cu+2]- InChIKey
TVQJSTQEVVDXSK-UHFFFAOYSA-N- Molecular formula
- C32H13CuN11O6
- Average molar mass
- 711.1 g/mol
- Monoisotopic mass
- 710.034624
Names & identifiers
- Preferred name
- (Trinitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper
- IUPAC
- copper 5,6,7-trinitro-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
- English name
- [trinitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper
- Molecular formula
- C32H13CuN11O6
- Molecular weight
- 711.06172
Names & synonyms
EINECS 289-475-589139-22-0(Trinitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper[trinitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper
Database identifiers
- CAS
89139-22-0- PubChem CID
- 129011827
- EC Number
- 289-475-5
Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,660
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