Cadmium(2+);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
21328-74-5- Standard SMILES
[Cd+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21- InChIKey
TVLWVQQYDJZURM-UHFFFAOYSA-N- Molecular formula
- C32H16CdN8
- Average molar mass
- 624.9 g/mol
- Monoisotopic mass
- 626.053158
Names & identifiers
- Preferred name
- Cadmium(2+);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
- cadmium(2+);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
21328-74-5- PubChem CID
- 4136523
Properties
Computed structural properties
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 983
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