(2-cyano-2,2-diphenylethyl) dihydrogen phosphite

C15H14NO3P — CID 175520669

IUPAC(2-cyano-2,2-diphenylethyl) dihydrogen phosphite
SMILESN#CC(COP(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14NO3P/c16-11-15(12-19-20(17)18,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17-18H,12H2
InChIKeySNOLRKALKUSMJP-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.72
Rot. Bonds5

About (2-cyano-2,2-diphenylethyl) dihydrogen phosphite

(2-cyano-2,2-diphenylethyl) dihydrogen phosphite (PubChem CID 175520669) has the molecular formula C15H14NO3P and a molecular weight of 287.25 g/mol. Its IUPAC name is (2-cyano-2,2-diphenylethyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2-cyano-2,2-diphenylethyl) dihydrogen phosphite
PubChem CID175520669
Molecular FormulaC15H14NO3P
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name(2-cyano-2,2-diphenylethyl) dihydrogen phosphite
SMILESN#CC(COP(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14NO3P/c16-11-15(12-19-20(17)18,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17-18H,12H2
InChIKeySNOLRKALKUSMJP-UHFFFAOYSA-N
XLogP2.72
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite
CID 174926133
2,2-diphenylpent-4-enenitrile
CID 10681154
2,2-diphenyloctadecanenitrile
CID 154150395
2,2,5-triphenylpent-4-ynenitrile
CID 10402967
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139
3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile
CID 23339927
4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride
CID 3032221
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
(4-cyano-4,4-diphenylbutyl)-trimethylazanium
CID 134117596
(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid
CID 174189297
CID 67365449
CID 67365449
[(1S)-1-cyano-1-phenylpropyl] acetate
CID 102321496

Frequently Asked Questions

What is the IUPAC name of (2-cyano-2,2-diphenylethyl) dihydrogen phosphite?
The IUPAC name of (2-cyano-2,2-diphenylethyl) dihydrogen phosphite (CID 175520669) is (2-cyano-2,2-diphenylethyl) dihydrogen phosphite.
What is the SMILES notation for (2-cyano-2,2-diphenylethyl) dihydrogen phosphite?
The canonical SMILES for (2-cyano-2,2-diphenylethyl) dihydrogen phosphite is N#CC(COP(O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-cyano-2,2-diphenylethyl) dihydrogen phosphite?
The InChIKey is SNOLRKALKUSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO3P/c16-11-15(12-19-20(17)18,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17-18H,12H2.
What are the key properties of (2-cyano-2,2-diphenylethyl) dihydrogen phosphite?
(2-cyano-2,2-diphenylethyl) dihydrogen phosphite has a molecular weight of 287.25 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-2,2-diphenylethyl) dihydrogen phosphite is sourced from PubChem (CID 175520669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).