2,4,5-Triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Basic information
- CAS
37428-96-9- Standard SMILES
c1ccc(C2=NC(c3ccccc3)N3CC23c2ccccc2)cc1- InChIKey
WBGPXLGRLVZYHL-UHFFFAOYSA-N- Molecular formula
- C22H18N2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.14699858
Names & identifiers
- Preferred name
- 2,4,5-Triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
- IUPAC
- 2,4,5-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Names & synonyms
2,4,5-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene37428-96-9NSC255284CHEMBL4935751DTXSID70304784NSC167296NSC-167296NSC-255284343587-18-8DS-003562AE-477/13519470
Database identifiers
- CAS
37428-96-9- PubChem CID
- 296807
- DTXSID
DTXSID70304784- ChEMBL
CHEMBL4935751
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 15.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
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Related reactions
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Compound notes
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