6,7a-dimethyl-3-(4-nitrophenyl)-4a,5-diphenyl-7H-cyclopenta[e][1,4,2]dioxazine
Basic information
- CAS
66042-27-1- Standard SMILES
CC1=C(c2ccccc2)C2(c3ccccc3)OC(c3ccc([N+](=O)[O-])cc3)=NOC2(C)C1- InChIKey
QYIZWGPNEMYKDX-UHFFFAOYSA-N- Molecular formula
- C26H22N2O4
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.15795719
Names & identifiers
- Preferred name
- 6,7a-dimethyl-3-(4-nitrophenyl)-4a,5-diphenyl-7H-cyclopenta[e][1,4,2]dioxazine
- IUPAC
- 6,7a-dimethyl-3-(4-nitrophenyl)-4a,5-diphenyl-7H-cyclopenta[e][1,4,2]dioxazine
Names & synonyms
66042-27-16,7a-dimethyl-3-(4-nitrophenyl)-4a,5-diphenyl-7H-cyclopenta[e][1,4,2]dioxazineNSC305333DTXSID50316628NSC-3053336,7a-Dimethyl-3-(4-nitrophenyl)-4a,5-diphenyl-7,7a-dihydro-4aH-cyclopenta[e][1,4,2]dioxazine
Database identifiers
- CAS
66042-27-1- PubChem CID
- 328017
- DTXSID
DTXSID50316628
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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