Basic information
- CAS
313-94-0- Standard SMILES
CC(C)(C)c1ccc2c(c1)C1=Nc3ccccc3C3=Nc4ccccc4C(=N2)N31- InChIKey
XTKMSARQIJVKCC-UHFFFAOYSA-N- Molecular formula
- C25H20N4
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.16879665
Names & identifiers
- Preferred name
- Tricycloquinazoline, 3-tert-butyl-
- IUPAC
- 4-tert-butyl-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
- 3-(tert-Butyl)tricycloquinazoline
- Molecular formula
- C25H20N4
- Molecular weight
- 376.45
Names & synonyms
Tricycloquinazoline, 3-tert-butyl-313-94-03-t-ButyltricycloquinazolineDTXSID001852253-tert-Butyl-5,10,14c,15-tetraazanaphtho[1,2,3-gh]tetraphene3-(tert-Butyl)tricycloquinazolineTricycloquinazoline, 3-(1,1-dimethylethyl)- (9CI)
Database identifiers
- CAS
313-94-0- PubChem CID
- 200129
- DTXSID
DTXSID00185225- Nikkaji
- J36.549A
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 772
Physicochemical properties
- Boiling point
- 495.78 °C · 495.78°C (rough estimate)
- Density
- 1.3194 · 1.3194 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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