tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate

C45H57N2O3Si+ — CID 154707642

IUPACtert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=C(/C[C@@H](C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C45H57N2O3Si/c1-43(2,3)49-42(48)46-40(36-24-15-10-16-25-36)34-37(35-22-13-9-14-23-35)31-33-47-32-21-30-41(47)45(38-26-17-11-18-27-38,39-28-19-12-20-29-39)50-51(7,8)44(4,5)6/h9-20,22-29,33,37,41H,21,30-32,34H2,1-8H3/q+1/b46-40-,47-33+/t37-,41+/m1/s1
InChIKeyRZPIKRSLGVCPET-JKSVXMLZSA-N
MW702.05 g/mol
LogP11.19
Rot. Bonds11

About tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate

tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate (PubChem CID 154707642) has the molecular formula C45H57N2O3Si+ and a molecular weight of 702.05 g/mol. Its IUPAC name is tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate
PubChem CID154707642
Molecular FormulaC45H57N2O3Si+
Molecular Weight702.05 g/mol
Exact Mass701.41
IUPAC Nametert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=C(/C[C@@H](C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C45H57N2O3Si/c1-43(2,3)49-42(48)46-40(36-24-15-10-16-25-36)34-37(35-22-13-9-14-23-35)31-33-47-32-21-30-41(47)45(38-26-17-11-18-27-38,39-28-19-12-20-29-39)50-51(7,8)44(4,5)6/h9-20,22-29,33,37,41H,21,30-32,34H2,1-8H3/q+1/b46-40-,47-33+/t37-,41+/m1/s1
InChIKeyRZPIKRSLGVCPET-JKSVXMLZSA-N
XLogP11.19
TPSA50.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.05
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 53310428
[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 102099897
trimethyl-[[(2S)-1-[(4S,5R,6R)-3-methyl-2-oxido-4-phenyl-5-propan-2-yl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane
CID 102580761
[[(2S)-1-[(4S,5R,6R)-3,5-dimethyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]-trimethylsilane
CID 102580765
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
tert-butyl-[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-dimethylsilane
CID 154707791
[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane
CID 101482559
[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane
CID 102026756
trimethyl-[[(2S)-1-[(4S,5R,6R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane
CID 102580762

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate?
The IUPAC name of 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) is tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate?
The canonical SMILES for tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate is CC(C)(C)OC(=O)/N=C(/C[C@@H](C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate?
The InChIKey is RZPIKRSLGVCPET-JKSVXMLZSA-N. The full InChI is InChI=1S/C45H57N2O3Si/c1-43(2,3)49-42(48)46-40(36-24-15-10-16-25-36)34-37(35-22-13-9-14-23-35)31-33-47-32-21-30-41(47)45(38-26-17-11-18-27-38,39-28-19-12-20-29-39)50-51(7,8)44(4,5)6/h9-20,22-29,33,37,41H,21,30-32,34H2,1-8H3/q+1/b46-40-,47-33+/t37-,41+/m1/s1.
What are the key properties of tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate?
tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate has a molecular weight of 702.05 g/mol, XLogP of 11.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-[(3R)-5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxy-diphenylmethyl]pyrrolidin-1-ium-1-ylidene]-1,3-diphenylpentylidene]carbamate is sourced from PubChem (CID 154707642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).