[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane

C35H33NOSi — CID 54752478

IUPAC[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane
SMILESc1ccc(C(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)[C@@H]2CCCN2)cc1
InChIInChI=1S/C35H33NOSi/c1-6-17-29(18-7-1)35(34-27-16-28-36-34,30-19-8-2-9-20-30)37-38(31-21-10-3-11-22-31,32-23-12-4-13-24-32)33-25-14-5-15-26-33/h1-15,17-26,34,36H,16,27-28H2/t34-/m0/s1
InChIKeyDXLGKWBEDOVQRE-UMSFTDKQSA-N
MW511.74 g/mol
LogP5.37
Rot. Bonds8

About [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane

[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane (PubChem CID 54752478) has the molecular formula C35H33NOSi and a molecular weight of 511.74 g/mol. Its IUPAC name is [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane.

Molecular Properties

Compound Name[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane
PubChem CID54752478
Molecular FormulaC35H33NOSi
Molecular Weight511.74 g/mol
Exact Mass511.23
IUPAC Name[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane
SMILESc1ccc(C(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)[C@@H]2CCCN2)cc1
InChIInChI=1S/C35H33NOSi/c1-6-17-29(18-7-1)35(34-27-16-28-36-34,30-19-8-2-9-20-30)37-38(31-21-10-3-11-22-31,32-23-12-4-13-24-32)33-25-14-5-15-26-33/h1-15,17-26,34,36H,16,27-28H2/t34-/m0/s1
InChIKeyDXLGKWBEDOVQRE-UMSFTDKQSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.74
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 11198150
(S)-(t-Butyldimethylsiloxy)-diphenylmethyl)pyrrolidine
CID 12000489
(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 16218310
(R)-Diphenylprolinol tert-butyldimethylsilyl ether
CID 71310995
1,1'-(Piperidine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94055
[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride
CID 71310394
[bis[3,5-bis(trifluoromethyl)phenyl]-[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-(2,3-dimethylbutan-2-yl)-dimethylsilane
CID 168303066
(S)-2-(Di(naphthalen-2-yl)((trimethylsilyl)oxy)methyl)pyrrolidine
CID 11704560
Pyrrolidine, 2-[diphenyl[(triethylsilyl)oxy]methyl]-, (2S)-
CID 12164842
(S)-2-(Bis(3,5-dimethylphenyl)((trimethylsilyl)oxy)methyl)pyrrolidine
CID 16733538
2-[Diphenyl[(trimethylsilyl)oxy]methyl]pyrrolidine
CID 23629008
(R)-2-(Diphenyl((triethylsilyl)oxy)methyl)pyrrolidine
CID 25177950

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane?
The IUPAC name of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane (CID 54752478) is [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane.
What is the SMILES notation for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane?
The canonical SMILES for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane is c1ccc(C(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)[C@@H]2CCCN2)cc1.
What is the InChIKey of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane?
The InChIKey is DXLGKWBEDOVQRE-UMSFTDKQSA-N. The full InChI is InChI=1S/C35H33NOSi/c1-6-17-29(18-7-1)35(34-27-16-28-36-34,30-19-8-2-9-20-30)37-38(31-21-10-3-11-22-31,32-23-12-4-13-24-32)33-25-14-5-15-26-33/h1-15,17-26,34,36H,16,27-28H2/t34-/m0/s1.
What are the key properties of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane?
[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane has a molecular weight of 511.74 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane is sourced from PubChem (CID 54752478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).