Bis((5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone);nickel;2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
Basic information
- CAS
79121-51-0- Standard SMILES
CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O.Cc1nn(-c2ccccc2)c(O)c1C(=O)c1ccccc1.Cc1nn(-c2ccccc2)c(O)c1C(=O)c1ccccc1.[Ni]- InChIKey
QWJYFORAMDELGH-UHFFFAOYSA-N- Molecular formula
- C56H68N6NiO6
- Average molar mass
- 979.9 g/mol
- Monoisotopic mass
- 978.455376
Names & identifiers
- Preferred name
- Bis((5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone);nickel;2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
- IUPAC
- bis((5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone);nickel;2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
Names & synonyms
DTXSID501099815
Database identifiers
- CAS
79121-51-0- PubChem CID
- 165366307
- DTXSID
DTXSID501099815
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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