1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one

C26H25NO2Si — CID 14116413

IUPAC1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one
SMILESC[Si](C)(C)OC1(C#Cc2ccccc2)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C26H25NO2Si/c1-30(2,3)29-26(20-19-21-13-7-4-8-14-21)24(22-15-9-5-10-16-22)27(25(26)28)23-17-11-6-12-18-23/h4-18,24H,1-3H3
InChIKeyIZKZPSPROMLVIC-UHFFFAOYSA-N
MW411.58 g/mol
LogP5.42
Rot. Bonds4

About 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one

1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one (PubChem CID 14116413) has the molecular formula C26H25NO2Si and a molecular weight of 411.58 g/mol. Its IUPAC name is 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one
PubChem CID14116413
Molecular FormulaC26H25NO2Si
Molecular Weight411.58 g/mol
Exact Mass411.17
IUPAC Name1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one
SMILESC[Si](C)(C)OC1(C#Cc2ccccc2)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C26H25NO2Si/c1-30(2,3)29-26(20-19-21-13-7-4-8-14-21)24(22-15-9-5-10-16-22)27(25(26)28)23-17-11-6-12-18-23/h4-18,24H,1-3H3
InChIKeyIZKZPSPROMLVIC-UHFFFAOYSA-N
XLogP5.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.58
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one?
The IUPAC name of 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one (CID 14116413) is 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one.
What is the SMILES notation for 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one?
The canonical SMILES for 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one is C[Si](C)(C)OC1(C#Cc2ccccc2)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one?
The InChIKey is IZKZPSPROMLVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2Si/c1-30(2,3)29-26(20-19-21-13-7-4-8-14-21)24(22-15-9-5-10-16-22)27(25(26)28)23-17-11-6-12-18-23/h4-18,24H,1-3H3.
What are the key properties of 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one?
1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one has a molecular weight of 411.58 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one is sourced from PubChem (CID 14116413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).