5-(4-methylphenyl)-3,7-diphenyl-4H-diazepine
Basic information
- CAS
25649-71-2- Standard SMILES
Cc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1- InChIKey
YNYKIESXTHKIKS-UHFFFAOYSA-N- Molecular formula
- C24H20N2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.16264865
Names & identifiers
- Preferred name
- 5-(4-methylphenyl)-3,7-diphenyl-4H-diazepine
- IUPAC
- 5-(4-methylphenyl)-3,7-diphenyl-4H-diazepine
- English name
- 5-(4-methylphenyl)-3,7-diphenyl-4H-1,2-diazepine
- Molecular formula
- C24H20N2
- Molecular weight
- 336.43
Names & synonyms
25649-71-25-(4-methylphenyl)-3,7-diphenyl-4H-diazepineDTXSID60346911RefChem:300067DTXCID502979835-(4-Methylphenyl)-3,7-diphenyl-4H-1,2-diazepine4H-1,2-Diazepine, 3,7-diphenyl-5-p-tolyl-4H-1,2-Diazepine, 5-(4-methylphenyl)-3,7-diphenyl-YNYKIESXTHKIKS-UHFFFAOYSA-NAG-205/080340495-(4-Methylphenyl)-3,7-diphenyl-4H-1,2-diazepine #
Database identifiers
- CAS
25649-71-2- PubChem CID
- 616335
- DTXSID
DTXSID60346911- Nikkaji
- J145.753E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Boiling point
- 477.7 · 477.7±45.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 7.23 · 7.23±0.20(Predicted)
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Related reactions
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Compound notes
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