4-[(E)-phenyldiazenyl]-N-{(E)-[4-(phenylethynyl)phenyl]methylidene}aniline
Basic information
- CAS
310458-92-5- Standard SMILES
C(#Cc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1)c1ccccc1- InChIKey
DJDXSNHOXRUVKL-UHFFFAOYSA-N- Molecular formula
- C27H19N3
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.15789762
Names & identifiers
- Preferred name
- 4-[(E)-phenyldiazenyl]-N-{(E)-[4-(phenylethynyl)phenyl]methylidene}aniline
- IUPAC
- N-(4-phenyldiazenylphenyl)-1-[4-(2-phenylethynyl)phenyl]methanimine
Names & synonyms
DTXSID401038070STK7516054-[(E)-phenyldiazenyl]-N-{(E)-[4-(phenylethynyl)phenyl]methylidene}anilineAKOS001715805310458-92-5N-[4-(phenyldiazenyl)phenyl]-1-[4-(phenylethynyl)phenyl]methanimineBenzenamine, 4-(2-phenyldiazenyl)-N-[[4-(2-phenylethynyl)phenyl]methylene]-
Database identifiers
- CAS
310458-92-5- PubChem CID
- 4029014
- DTXSID
DTXSID401038070
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 611
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Compound notes
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