tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane

C26H30ClNSi — CID 101359961

IUPACtert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)[C@@]1(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C26H30ClNSi/c1-25(2,3)29(4,5)26(21-12-8-6-9-13-21)24(20-16-18-22(27)19-17-20)28(26)23-14-10-7-11-15-23/h6-19,24H,1-5H3/t24-,26+,28?/m1/s1
InChIKeyMIYOTIDYVFMUPO-MAKPOSLASA-N
MW420.07 g/mol
LogP7.84
Rot. Bonds4

About tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane

tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane (PubChem CID 101359961) has the molecular formula C26H30ClNSi and a molecular weight of 420.07 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane
PubChem CID101359961
Molecular FormulaC26H30ClNSi
Molecular Weight420.07 g/mol
Exact Mass419.18
IUPAC Nametert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)[C@@]1(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C26H30ClNSi/c1-25(2,3)29(4,5)26(21-12-8-6-9-13-21)24(20-16-18-22(27)19-17-20)28(26)23-14-10-7-11-15-23/h6-19,24H,1-5H3/t24-,26+,28?/m1/s1
InChIKeyMIYOTIDYVFMUPO-MAKPOSLASA-N
XLogP7.84
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.07
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2R,3R)-3-(4-chlorophenyl)-1-phenyl-2-prop-2-enylaziridin-2-yl]-dimethylsilane
CID 134984632
(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol
CID 101407268
(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol
CID 101407270
(1S,5S,6S)-5-(4-chlorophenyl)-1-methyl-6-phenyl-4-(2-phenylpropan-2-yl)-3,7-dioxa-4-azabicyclo[4.1.0]heptan-2-one
CID 101417109
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane
CID 14809978
2-chloro-2-fluoro-1,3-diphenylaziridine
CID 23265826
[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane
CID 162413159
(2S,3R)-2-fluoro-3-(4-methoxyphenyl)-1,2-diphenylaziridine
CID 11544255
(1S,7S,8R,12S,13R)-1-[tert-butyl(dimethyl)silyl]oxy-13-(4-chlorophenyl)-7,10-diphenyl-4-oxa-10-azatetracyclo[5.5.1.02,6.08,12]tridec-2(6)-ene-3,9,11-trione
CID 132991159
1-[2-acetyl-1-benzoyl-3-(4-chlorophenyl)aziridin-2-yl]ethanone
CID 102169468
(3S,4R)-4-(4-chlorophenyl)-3-phenyl-1-propan-2-yl-3-(trifluoromethylsulfonyl)azetidin-2-one
CID 122385713

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane (CID 101359961) is tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane is CC(C)(C)[Si](C)(C)[C@@]1(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1.
What is the InChIKey of tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane?
The InChIKey is MIYOTIDYVFMUPO-MAKPOSLASA-N. The full InChI is InChI=1S/C26H30ClNSi/c1-25(2,3)29(4,5)26(21-12-8-6-9-13-21)24(20-16-18-22(27)19-17-20)28(26)23-14-10-7-11-15-23/h6-19,24H,1-5H3/t24-,26+,28?/m1/s1.
What are the key properties of tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane?
tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane has a molecular weight of 420.07 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane is sourced from PubChem (CID 101359961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).