Basic information
- CAS
79704-00-0- Standard SMILES
CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N.CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+].[Cu+].[Fe].[H+].[H+]- InChIKey
AKTVVAUIBBHNSN-UHFFFAOYSA-P- Molecular formula
- C46H40Cu2FeN12-2
- Average molar mass
- 943.8 g/mol
- Monoisotopic mass
- 942.144019
Overview
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Names & identifiers
- Preferred name
- Einecs 279-237-9
- IUPAC
- bis(4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline);bis(copper(1+));hydron;iron;hexacyanide
Names & synonyms
EINECS 279-237-979704-00-0Dicopper(1+) dihydrogen hexakis(cyano-C)ferrate(4-), compound with4-((p-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl)-2- methylaniline (1:2)
Database identifiers
- CAS
79704-00-0- PubChem CID
- 129010945
- EC Number
- 279-237-9
Properties
Computed structural properties
- Topological polar surface area
- 295 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 4
- Heavy atoms
- 61
- Formal charge
- -2
- Complexity
- 525
Related reactions
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Compound notes
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