7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(4-biphenylyl)-3-chloro-12,13-dimethoxy-, bromide
Basic information
- CAS
82802-96-8- Standard SMILES
COc1cc2c(cc1OC)C1=[N+](CC2)CC(c2ccc(-c3ccccc3)cc2)=Nc2cc(Cl)ccc21.[Br-]- InChIKey
FMJSKFOEZPHCAC-UHFFFAOYSA-M- Molecular formula
- C31H26BrClN2O2
- Average molar mass
- 573.9 g/mol
- Monoisotopic mass
- 572.08662
Names & identifiers
- Preferred name
- 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(4-biphenylyl)-3-chloro-12,13-dimethoxy-, bromide
- IUPAC
- 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
- English name
- 7H-ISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-8-IUM, 9,10-DIHYDRO-6-(4-BIPHENYL YL)-3-CHLO
- Molecular weight
- 0
Names & synonyms
82802-96-87H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(4-biphenylyl)-3-chloro-12,13-dimethoxy-, bromideRefChem:3114177H-ISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-8-IUM, 9,10-DIHYDRO-6-(4-BIPHENYL YL)-3-CHLO
Database identifiers
- CAS
82802-96-8- PubChem CID
- 54917
- DTXSID
DTXSID501002915
Properties
Computed structural properties
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 828
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Related reactions
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Compound notes
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