Basic information
- CAS
239-67-8- Standard SMILES
c1ccc2c(c1)ccc1c3ccc4cccnc4c3[nH]c21- InChIKey
QMBAKFMBSDSFSW-UHFFFAOYSA-N- Molecular formula
- C19H12N2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.10004839
Names & identifiers
- Preferred name
- 13h-Benzo[a]pyrido[3,2-i]carbazole
- IUPAC
- 9,12-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
- English name
- 13H-Benzo[a]pyrido[3,2-i]carbazole
- Molecular formula
- C19H12N2
- Molecular weight
- 268.31
Names & synonyms
13h-benzo[a]pyrido[3,2-i]carbazole239-67-813H-Benzo(a)pyrido(3,2-i)carbazoleBRN 06164787,8-Benzopyrido(2',3':1,2)carbazoleSCHEMBL22762124DTXSID80178599
Database identifiers
- CAS
239-67-8- PubChem CID
- 67480
- DTXSID
DTXSID80178599- Nikkaji
- J36.078C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 401.48 °C · 401.48°C (rough estimate)
- Density
- 1.0218 · 1.0218 (rough estimate)
- refractive index
- 1.8676 · 1.8676 (estimate)
- pka
- 15.2 · 15.20±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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