[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane

C39H38NOSi+ — CID 101482559

IUPAC[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane
SMILESC[Si](OC(c1ccccc1)(c1ccccc1)C1CCC/[N+]1=C\C=C\c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H38NOSi/c1-42(36-26-13-5-14-27-36,37-28-15-6-16-29-37)41-39(34-22-9-3-10-23-34,35-24-11-4-12-25-35)38-30-18-32-40(38)31-17-21-33-19-7-2-8-20-33/h2-17,19-29,31,38H,18,30,32H2,1H3/q+1/b21-17+,40-31+
InChIKeyQYWYSZPEZXHMMH-ANEWMNALSA-N
MW564.83 g/mol
LogP7.30
Rot. Bonds9

About [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane

[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane (PubChem CID 101482559) has the molecular formula C39H38NOSi+ and a molecular weight of 564.83 g/mol. Its IUPAC name is [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane.

Molecular Properties

Compound Name[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane
PubChem CID101482559
Molecular FormulaC39H38NOSi+
Molecular Weight564.83 g/mol
Exact Mass564.27
IUPAC Name[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane
SMILESC[Si](OC(c1ccccc1)(c1ccccc1)C1CCC/[N+]1=C\C=C\c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H38NOSi/c1-42(36-26-13-5-14-27-36,37-28-15-6-16-29-37)41-39(34-22-9-3-10-23-34,35-24-11-4-12-25-35)38-30-18-32-40(38)31-17-21-33-19-7-2-8-20-33/h2-17,19-29,31,38H,18,30,32H2,1H3/q+1/b21-17+,40-31+
InChIKeyQYWYSZPEZXHMMH-ANEWMNALSA-N
XLogP7.30
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.83
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triphenylsilane
CID 54752478
[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
CID 71475855
[Diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane
CID 75581854
[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 53310428
[diphenyl-[(2R)-pyrrolidin-2-yl]methoxy]-triphenylsilane
CID 71712617
[diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane
CID 102026757
[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 102099897
trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane
CID 134838472
trimethyl-[[(2S)-1-[(2R,3S)-2-methyl-4-nitro-3-phenylbutylidene]pyrrolidin-1-ium-2-yl]-diphenylmethoxy]silane
CID 134838759
[[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane
CID 134843770
[diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 134942214
tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate
CID 154707642

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane?
The IUPAC name of [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane (CID 101482559) is [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane.
What is the SMILES notation for [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane?
The canonical SMILES for [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane is C[Si](OC(c1ccccc1)(c1ccccc1)C1CCC/[N+]1=C\C=C\c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane?
The InChIKey is QYWYSZPEZXHMMH-ANEWMNALSA-N. The full InChI is InChI=1S/C39H38NOSi/c1-42(36-26-13-5-14-27-36,37-28-15-6-16-29-37)41-39(34-22-9-3-10-23-34,35-24-11-4-12-25-35)38-30-18-32-40(38)31-17-21-33-19-7-2-8-20-33/h2-17,19-29,31,38H,18,30,32H2,1H3/q+1/b21-17+,40-31+.
What are the key properties of [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane?
[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane has a molecular weight of 564.83 g/mol, XLogP of 7.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane is sourced from PubChem (CID 101482559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).