[6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane

C25H37NSi — CID 154591896

IUPAC[6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)ccc1-c1cc(CC2CCCC2)c([Si](C)(C)C)cn1
InChIInChI=1S/C25H37NSi/c1-18-14-21(25(2,3)4)12-13-22(18)23-16-20(15-19-10-8-9-11-19)24(17-26-23)27(5,6)7/h12-14,16-17,19H,8-11,15H2,1-7H3/i1D3
InChIKeyCUYJJCZACBGBET-FIBGUPNXSA-N
MW382.68 g/mol
LogP6.63
Rot. Bonds5

About [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane

[6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane (PubChem CID 154591896) has the molecular formula C25H37NSi and a molecular weight of 382.68 g/mol. Its IUPAC name is [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane
PubChem CID154591896
Molecular FormulaC25H37NSi
Molecular Weight382.68 g/mol
Exact Mass382.29
IUPAC Name[6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)ccc1-c1cc(CC2CCCC2)c([Si](C)(C)C)cn1
InChIInChI=1S/C25H37NSi/c1-18-14-21(25(2,3)4)12-13-22(18)23-16-20(15-19-10-8-9-11-19)24(17-26-23)27(5,6)7/h12-14,16-17,19H,8-11,15H2,1-7H3/i1D3
InChIKeyCUYJJCZACBGBET-FIBGUPNXSA-N
XLogP6.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.63
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

[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 166576367
[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 154591950
3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol
CID 174111514
2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine
CID 155611178
[6-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 158357389
1-(4-tert-butylphenyl)-2-(4H-dibenzothiophen-4-id-3-yl)benzimidazole;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657533
[6-(4-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane;[1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]silane
CID 160910554
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039109

Frequently Asked Questions

What is the IUPAC name of [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane (CID 154591896) is [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane is [2H]C([2H])([2H])c1cc(C(C)(C)C)ccc1-c1cc(CC2CCCC2)c([Si](C)(C)C)cn1.
What is the InChIKey of [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is CUYJJCZACBGBET-FIBGUPNXSA-N. The full InChI is InChI=1S/C25H37NSi/c1-18-14-21(25(2,3)4)12-13-22(18)23-16-20(15-19-10-8-9-11-19)24(17-26-23)27(5,6)7/h12-14,16-17,19H,8-11,15H2,1-7H3/i1D3.
What are the key properties of [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane?
[6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 382.68 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 154591896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).