2,8-Dichloro-6,12-diphenyldibenzo[b,f][1,5]diazocine
Basic information
- CAS
3646-61-5- Standard SMILES
Clc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(Cl)cc1C(c1ccccc1)=N2- InChIKey
MQGFJTPZIBDFDR-UHFFFAOYSA-N- Molecular formula
- C26H16Cl2N2
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 426.0690539
Names & identifiers
- Preferred name
- 2,8-Dichloro-6,12-diphenyldibenzo[b,f][1,5]diazocine
- IUPAC
- 2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine
- English name
- 2,8-Dichloro-6,12-diphenyldibenzo(b,f)(1,5)diazocine
- Molecular formula
- C26H16Cl2N2
- Molecular weight
- 427.32
Names & synonyms
3646-61-52,8-Dichloro-6,12-diphenyldibenzo[b,f][1,5]diazocineU-102932,3-Dichloro-6,12-diphenyl-dibenzo(b,f)(1,5)diazocineDIBENZO(b,f)(1,5)DIAZOCINE, 2,8-DICHLORO-6,12-DIPHENYL-2,8-DICHLORO-6,12-DIPHENYLDIBENZO(B,F)(1,5)DIAZOCINE2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocineMQGFJTPZIBDFDR-JOHVSHHLSA-NDTXSID101219568(6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocineMFCD00563507STK868192
Show more names
Diazepam Impurity 16（U-10293）2,8-Dichloro-6,12-diphenyldibenzo[b,f][1,5]diazocaineDibenzo[b,f][1,5]diazocine, 2,8-dichloro-6,12-diphenyl-
AKOS001270645AKOS030751808NCGC00336912-01ST51007106AB01329957-02AE-641/01653019SR-01000388471SR-01000388471-1
Database identifiers
- CAS
3646-61-5- PubChem CID
- 19276
- DTXSID
DTXSID101219568- Nikkaji
- J72.855A
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Melting point
- 215 · 215-217 °C
- Boiling point
- 577.85 °C · 577.85°C (rough estimate)
- Density
- 1.1615 · 1.1615 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 1.4 · 1.40±0.40(Predicted)
- color
- Light Yellow to Yellow
Chemistry & industry
Applications
Uses2,8-Dichloro-6,12-diphenyldibenzo[b,f][1,5]diazocine is synthesized from 2-aminobenzophenones (A603490) with a Lewis acid as condensing agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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