Basic information
- CAS
6488-10-4- Standard SMILES
c1ccc(C2=Nc3ccccc3[NH+]=C(c3ccccc3)C2)cc1- InChIKey
GIORJBTWCGPEFN-UHFFFAOYSA-O- Molecular formula
- C21H17N2+
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.13917355
Names & identifiers
- Preferred name
- 2,4-diphenyl-3H-1,5-benzodiazepin-1-ium
- IUPAC
- 2,4-diphenyl-3H-1,5-benzodiazepin-1-ium
Names & synonyms
6488-10-42,4-diphenyl-3H-1,5-benzodiazepin-1-iumDTXSID00411339
Database identifiers
- CAS
6488-10-4- PubChem CID
- 5224725
- DTXSID
DTXSID00411339
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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