Basic information
- CAS
27702-25-6- Standard SMILES
Ic1cccc(C=NNc2nnc(NN=Cc3cccc(I)c3)c3ccccc23)c1- InChIKey
SBNJNEVRVKUPPP-UHFFFAOYSA-N- Molecular formula
- C22H16I2N6
- Average molar mass
- 618.2 g/mol
- Monoisotopic mass
- 617.95259
Names & identifiers
- Preferred name
- 1-N,4-N-bis[(3-iodophenyl)methylideneamino]phthalazine-1,4-diamine
- IUPAC
- 1-N,4-N-bis[(3-iodophenyl)methylideneamino]phthalazine-1,4-diamine
Names & synonyms
27702-25-6DTXSID509503841,4-Bis{[(3-iodophenyl)methylidene]hydrazinylidene}-1,2,3,4-tetrahydrophthalazine
Database identifiers
- CAS
27702-25-6- PubChem CID
- 266366
- DTXSID
DTXSID50950384
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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