Tricycloquinazoline, 2-fluoro-
Basic information
- CAS
313-95-1- Standard SMILES
Fc1ccc2c(c1)N=C1c3ccccc3N=C3c4ccccc4N=C2N31- InChIKey
CQFRYEKZLIUOSD-UHFFFAOYSA-N- Molecular formula
- C21H11FN4
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.09677453
Names & identifiers
- Preferred name
- Tricycloquinazoline, 2-fluoro-
- IUPAC
- 5-fluoro-8,16,24,25-tetrazahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
- English name
- 2-Fluorotricycloquinazoline
- Molecular formula
- C21H11FN4
- Molecular weight
- 338.34
Names & synonyms
Tricycloquinazoline, 2-fluoro-313-95-12-FluorotricycloquinazolineDTXSID601852262-Fluoro-5,10,14c,15-tetraazanaphtho[1,2,3-gh]tetrapheneTricycloquinazoline, 2-fluoro- (7CI,8CI,9CI)
Database identifiers
- CAS
313-95-1- PubChem CID
- 200130
- DTXSID
DTXSID60185226- Nikkaji
- J36.551C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 698
Physicochemical properties
- Density
- 1.363 · 1.3630 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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