Basic information
- CAS
57390-30-4- Standard SMILES
c1ccc2c(c1)Nc1ccccc1-n1ccnc1-2- InChIKey
BHWWGQXSGHLRCN-UHFFFAOYSA-N- Molecular formula
- C15H11N3
- Average molar mass
- 233.27 g/mol
- Monoisotopic mass
- 233.09529736
Names & identifiers
- Preferred name
- 9H-Dibenz(b,f)imidazo(1,2-d)(1,4)diazepine
- IUPAC
- 2,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
Names & synonyms
9H-Dibenz(b,f)imidazo(1,2-d)(1,4)diazepineBRN 0614620Imidazo(1,2-d)dibenzo(b,f)diazepine-1,4 [French]Imidazo(1,2-d)dibenzo(b,f)diazepine-1,457390-30-4DTXSID90205981RefChem:313426DTXCID20128472SCHEMBL11879205BHWWGQXSGHLRCN-UHFFFAOYSA-N9H-Dibenzo[b,f]imidazo[1,2-d][1,4]diazepine9H-dibenzo[b,f]imidazo[1,2-d][1, 4]diazepine
Database identifiers
- CAS
57390-30-4- PubChem CID
- 3044490
- DTXSID
DTXSID90205981- Nikkaji
- J72.783K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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