[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane

C18H25NSi — CID 155612207

IUPAC[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1
InChIInChI=1S/C18H25NSi/c1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6/h7-13H,1-6H3/i3D3,13D
InChIKeyYMHNLTRHGYPOHM-SNOBMXNVSA-N
MW287.52 g/mol
LogP4.73
Rot. Bonds4

About [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane

[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane (PubChem CID 155612207) has the molecular formula C18H25NSi and a molecular weight of 287.52 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
PubChem CID155612207
Molecular FormulaC18H25NSi
Molecular Weight287.52 g/mol
Exact Mass287.20
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1
InChIInChI=1S/C18H25NSi/c1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6/h7-13H,1-6H3/i3D3,13D
InChIKeyYMHNLTRHGYPOHM-SNOBMXNVSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane
CID 157244482
[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 156658003
[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane
CID 166574521
[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 140739141
[4-(2-deuteriopropan-2-yl)-6-(4-methyl-3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 166578513
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
4-(4-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile
CID 140739401
[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 157326729
trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]silane
CID 155612623
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile
CID 169039431
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine
CID 169039054

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane (CID 155612207) is [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane is [2H]C([2H])([2H])c1ccc(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane?
The InChIKey is YMHNLTRHGYPOHM-SNOBMXNVSA-N. The full InChI is InChI=1S/C18H25NSi/c1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6/h7-13H,1-6H3/i3D3,13D.
What are the key properties of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane?
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane has a molecular weight of 287.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 155612207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).