Basic information
- CAS
207-85-2- Standard SMILES
c1ccc2c(c1)ccc1[nH]c3c4cccnc4ccc3c12- InChIKey
DUKZIBGVTVIFRZ-UHFFFAOYSA-N- Molecular formula
- C19H12N2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.10004839
Names & identifiers
- Preferred name
- 13h-Benzo[g]pyrido[3,2-a]carbazole
- IUPAC
- 12,18-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
- English name
- 13H-Benzo[g]pyrido[3,2-a]carbazole
- Molecular formula
- C19H12N2
- Molecular weight
- 268.31
Names & synonyms
13h-benzo[g]pyrido[3,2-a]carbazole207-85-213H-Benzo(g)pyrido(3,2-a)carbazoleBRN 06164935,6-Benzopyrido(3',2':1,2)carbazoleDTXSID20174757
Database identifiers
- CAS
207-85-2- PubChem CID
- 67463
- DTXSID
DTXSID20174757- Nikkaji
- J36.080E
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
- Melting point
- 368 °C · 368°C
- 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
- 15.44 · 15.44±0.30(Predicted)
- color
- Straw-colored needles from EtOH
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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