Basic information
- CAS
87049-07-8- Standard SMILES
CC(=O)c1cc(OCCCN2CC=C(c3ccccc3)CC2)ccc1OCCCN1CC=C(c2ccccc2)CC1- InChIKey
HMZWISRAKMZSCV-UHFFFAOYSA-N- Molecular formula
- C36H42N2O3
- Average molar mass
- 550.7 g/mol
- Monoisotopic mass
- 550.31954321
Names & identifiers
- Preferred name
- Ethanone, 1-(2,5-bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)-
- IUPAC
- 1-[2,5-bis[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
BRN 4613538ETHANONE, 1-(2,5-BIS(3-(3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDINYL)PROPOXY)PHENYL)-87049-07-8DTXSID802361031-(2,5-Bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)ethanoneRefChem:341059DTXCID401585941-{2,5-Bis[3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propoxy]phenyl}ethan-1-one
Database identifiers
- CAS
87049-07-8- PubChem CID
- 55609
- DTXSID
DTXSID80236103
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 857
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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