Basic information
- CAS
206-56-4- Standard SMILES
c1ccc2c(c1)-c1cccc3ccnc-2c13- InChIKey
XQNXAFHTOWJFTR-UHFFFAOYSA-N- Molecular formula
- C15H9N
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.07349929
Names & identifiers
- Preferred name
- 1-Azafluoranthene
- IUPAC
- 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
- English name
- 1-azafluoranthene
- Molecular formula
- C15H9N
- Molecular weight
- 203.24
Names & synonyms
1-Azafluorantheneindeno[1,2,3-ij]isoquinoline206-56-4INDENO(1,2,3-IJ)ISOQUINOLINEUNII-MV3X1YC181MV3X1YC181EINECS 205-915-0DTXSID60174610RefChem:74925DTXCID1097101205-915-0XQNXAFHTOWJFTR-UHFFFAOYSA-N
Show more names
AzafluorantheneSCHEMBL1054548SCHEMBL1247397SCHEMBL29644349NS00026709Q27284241
Database identifiers
- CAS
206-56-4- PubChem CID
- 9157
- DTXSID
DTXSID60174610- UNII
- MV3X1YC181
- EC Number
- 205-915-0
- Nikkaji
- J79.499F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 385.5 · 385.5±11.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 5.37 · 5.37±0.30(Predicted)
- FDA UNII
- 3 X1YC181 · MV3X1YC181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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