Benzonitrile, 4,4'-((2,3-dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl)imino)bis-
Basic information
- CAS
152264-74-9- Standard SMILES
N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1- InChIKey
VIBWDLANWLFIBU-UHFFFAOYSA-N- Molecular formula
- C28H17N5O2
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.1382248
Names & identifiers
- Preferred name
- Benzonitrile, 4,4'-((2,3-dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl)imino)bis-
- IUPAC
- 4-(4-cyano-N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]anilino)benzonitrile
Names & synonyms
152264-74-95-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dioneBenzonitrile, 4,4'-((2,3-dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl)imino)bis-DTXSID701649864,4'-((2,3-Dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl)imino)bisbenzonitrileRefChem:328036DTXCID7087477SCHEMBL91450484,4'-({1,3-Dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-5-yl}azanediyl)dibenzonitrile
Database identifiers
- CAS
152264-74-9- PubChem CID
- 216332
- DTXSID
DTXSID70164986
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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