Basic information
- CAS
64037-27-0- Standard SMILES
CC(CO)c1ccc2oc(-c3ccccc3)nc2c1.CC(CO)c1ccc2oc(-c3ccccc3)nc2c1.CC(CO)c1ccc2oc(-c3ccccc3)nc2c1.CC(CO)c1ccc2oc(-c3ccccc3)nc2c1.O- InChIKey
CFZVHPKDNFUKEV-UHFFFAOYSA-N- Molecular formula
- C64H62N4O9
- Average molar mass
- 1,031.2 g/mol
- Monoisotopic mass
- 1,030.45167957
Names & identifiers
- Preferred name
- 5-Benzoxazoleethanol, beta-methyl-2-phenyl-, hydrate (4:1)
- IUPAC
- tetrakis(2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-ol);hydrate
Names & synonyms
64037-27-05-BENZOXAZOLEETHANOL, beta-METHYL-2-PHENYL-, HYDRATE (4:1)RefChem:10726592-Phenyl-beta-methyl-5-benzoxazoleethanol hydrateDTXSID709820062-(2-Phenyl-1,3-benzoxazol-5-yl)propan-1-ol--water (4/1)
Database identifiers
- CAS
64037-27-0- PubChem CID
- 46400
- DTXSID
DTXSID70982006
Properties
Computed structural properties
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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