Basic information
- CAS
58451-84-6- Standard SMILES
OC(Cc1ccccc1)(Cc1ccccc1)c1cccc(C(O)(Cc2ccccc2)Cc2ccccc2)n1- InChIKey
ICTGRDPWQUONIY-UHFFFAOYSA-N- Molecular formula
- C35H33NO2
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.2511293
Overview
structure
Names & identifiers
- Preferred name
- 2,6-Bis(dibenzylhydroxymethyl)piperidines
- IUPAC
- 2-[6-(2-hydroxy-1,3-diphenylpropan-2-yl)-2-pyridinyl]-1,3-diphenylpropan-2-ol
- English name
- α,α,α',α'-Tetrabenzyl-2,6-pyridinedimethanol
- Molecular formula
- C35H33NO2
- Molecular weight
- 499.65
Names & synonyms
2,6-Bis(dibenzylhydroxymethyl)piperidines58451-84-6DTXSID20207150RefChem:83090DTXCID201296412,6-Bis-(dibenzylhydroxymethyl)-pyridine2,6-Bis-(dwubenzylohydroksymetylo)-pirydyna [Polish]2,6-Bis-(dwubenzylohydroksymetylo)-pirydyna2,6-Pyridinedimethanol, alpha,alpha,alpha',alpha'-tetrakis(phenylmethyl)-2,6-Pyridinedimethanol, alpha,alpha,alpha',alpha'-tetrabenzyl-2,2'-(Pyridine-2,6-diyl)bis(1,3-diphenylpropan-2-ol)α,α,α',α'-Tetrabenzyl-2,6-pyridinedimethanol
Show more names
2,6-Pyridinedimethanol, α2,α2,α6,α6-tetrakis(phenylmethyl)-2-[6-(2-hydroxy-1,3-diphenylpropan-2-yl)pyridin-2-yl]-1,3-diphenylpropan-2-ol
Database identifiers
- CAS
58451-84-6
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- Boiling point
- 598 · 598.0±45.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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