Basic information
- CAS
7139-42-6- Standard SMILES
c1ccc(C2=Nc3ccccc3C(c3ccccc3)=Nc3ccccc32)cc1- InChIKey
UQIGJMYREVNYFW-UHFFFAOYSA-N- Molecular formula
- C26H18N2
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14699858
Names & identifiers
- Preferred name
- 6,12-Diphenyldibenzo[b,f][1,5]diazocine
- IUPAC
- 6,12-diphenylbenzo[c][1,5]benzodiazocine
- English name
- Dibenzo[b,f][1,5]diazocine, 6,12-diphenyl-
- Molecular formula
- C26H18N2
- Molecular weight
- 358.43
Names & synonyms
6,12-Diphenyldibenzo[b,f][1,5]diazocine7139-42-6NSC167173NSC 1671736,12-Diphenyldibenzo(b,f)(1,5)diazocineNSC-1671736,12-diphenyldibenzo[b,f]1,5-diazocineST51042597AG-690/08981064Z276849848(4aZ,6Z,10aZ,12Z)-6,12-diphenylbenzo[c][1,5]benzodiazocineDibenzo[b,f][1,5]diazocine, 6,12-diphenyl-
Database identifiers
- CAS
7139-42-6- PubChem CID
- 296709
- Nikkaji
- J2.924.511H
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- Boiling point
- 495.9 · 495.9±41.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 2.23 · 2.23±0.40(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…