Copper;3-[2-[bis(2-cyanoethyl)amino]ethylamino]propanenitrile;3-[2-(2-cyanoethylamino)ethylamino]propanenitrile;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
Basic information
- CAS
80146-14-1- Standard SMILES
N#CCCNCCN(CCC#N)CCC#N.N#CCCNCCNCCC#N.[Cu+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21- InChIKey
OUADNDXMPQOSGA-UHFFFAOYSA-N- Molecular formula
- C51H47CuN17
- Average molar mass
- 961.6 g/mol
- Monoisotopic mass
- 960.349632
Names & identifiers
- Preferred name
- Copper;3-[2-[bis(2-cyanoethyl)amino]ethylamino]propanenitrile;3-[2-(2-cyanoethylamino)ethylamino]propanenitrile;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
- IUPAC
- copper;3-[2-[bis(2-cyanoethyl)amino]ethylamino]propanenitrile;3-[2-(2-cyanoethylamino)ethylamino]propanenitrile;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
Database identifiers
- CAS
80146-14-1- PubChem CID
- 129010959
Properties
Computed structural properties
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 16
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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