N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline

C31H49N2O3Si4+ — CID 177464933

IUPACN,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2cc[n+](Cc3ccc([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C31H49N2O3Si4/c1-32(2)30-18-14-27(15-19-30)12-13-28-22-24-33(25-23-28)26-29-16-20-31(21-17-29)40(34-37(3,4)5,35-38(6,7)8)36-39(9,10)11/h12-25H,26H2,1-11H3/q+1
InChIKeyZEYRXCSESLEJCY-UHFFFAOYSA-N
MW610.09 g/mol
LogP6.96
Rot. Bonds12

About N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline

N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline (PubChem CID 177464933) has the molecular formula C31H49N2O3Si4+ and a molecular weight of 610.09 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline
PubChem CID177464933
Molecular FormulaC31H49N2O3Si4+
Molecular Weight610.09 g/mol
Exact Mass609.28
IUPAC NameN,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2cc[n+](Cc3ccc([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C31H49N2O3Si4/c1-32(2)30-18-14-27(15-19-30)12-13-28-22-24-33(25-23-28)26-29-16-20-31(21-17-29)40(34-37(3,4)5,35-38(6,7)8)36-39(9,10)11/h12-25H,26H2,1-11H3/q+1
InChIKeyZEYRXCSESLEJCY-UHFFFAOYSA-N
XLogP6.96
TPSA34.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.09
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-benzylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline chloride
CID 142710987
1-[[4-[(1E,3E)-4-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]buta-1,3-dienyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 86276093
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
CID 775311
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline bromide
CID 86156832
N,N-dimethyl-4-[2-(1-pentylpyridin-1-ium-4-yl)ethenyl]aniline
CID 76565847
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[2-(1-hexadecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
CID 4166459
N,N-dimethyl-4-[(E)-2-(1-tetracosylpyridin-1-ium-4-yl)ethenyl]aniline
CID 177488015
4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 59348829
4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline bromide
CID 15250423
(E)-2-(1-benzylpyridin-1-ium-4-yl)-N,N-dimethylethenamine chloride
CID 10754838
bis[4-[2-(4-ethylphenyl)ethenyl]phenyl]-dimethylsilane
CID 72543241

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline (CID 177464933) is N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline is CN(C)c1ccc(/C=C/c2cc[n+](Cc3ccc([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline?
The InChIKey is ZEYRXCSESLEJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49N2O3Si4/c1-32(2)30-18-14-27(15-19-30)12-13-28-22-24-33(25-23-28)26-29-16-20-31(21-17-29)40(34-37(3,4)5,35-38(6,7)8)36-39(9,10)11/h12-25H,26H2,1-11H3/q+1.
What are the key properties of N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline?
N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline has a molecular weight of 610.09 g/mol, XLogP of 6.96, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline is sourced from PubChem (CID 177464933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).