Basic information
- CAS
122098-02-6- Standard SMILES
CC(C)c1cc(C(C)C)c2oc(-c3ccc(-c4nc5cc(C(C)C)cc(C(C)C)c5o4)cc3)nc2c1- InChIKey
INDRTXUEQUNQMA-UHFFFAOYSA-N- Molecular formula
- C32H36N2O2
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.2776784
Names & identifiers
- Preferred name
- 2,2'-(1,4-Phenylene)bis[5,7-di(propan-2-yl)-1,3-benzoxazole]
- IUPAC
- 2-[4-[5,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]-5,7-di(propan-2-yl)-1,3-benzoxazole
Names & synonyms
122098-02-6DTXSID305578752,2'-(1,4-Phenylene)bis[5,7-di(propan-2-yl)-1,3-benzoxazole]
Database identifiers
- CAS
122098-02-6- PubChem CID
- 14242598
- DTXSID
DTXSID30557875
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 655
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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