[6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane

C23H35NSi — CID 169038549

IUPAC[6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
SMILESCC(C)C(C)c1cc(-c2cccc(C(C)(C)C)c2)ncc1[Si](C)(C)C
InChIInChI=1S/C23H35NSi/c1-16(2)17(3)20-14-21(24-15-22(20)25(7,8)9)18-11-10-12-19(13-18)23(4,5)6/h10-17H,1-9H3
InChIKeyHZNUEUGLIYAOIK-UHFFFAOYSA-N
MW353.63 g/mol
LogP6.35
Rot. Bonds4

About [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane

[6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane (PubChem CID 169038549) has the molecular formula C23H35NSi and a molecular weight of 353.63 g/mol. Its IUPAC name is [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
PubChem CID169038549
Molecular FormulaC23H35NSi
Molecular Weight353.63 g/mol
Exact Mass353.25
IUPAC Name[6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
SMILESCC(C)C(C)c1cc(-c2cccc(C(C)(C)C)c2)ncc1[Si](C)(C)C
InChIInChI=1S/C23H35NSi/c1-16(2)17(3)20-14-21(24-15-22(20)25(7,8)9)18-11-10-12-19(13-18)23(4,5)6/h10-17H,1-9H3
InChIKeyHZNUEUGLIYAOIK-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.63
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane (CID 169038549) is [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane is CC(C)C(C)c1cc(-c2cccc(C(C)(C)C)c2)ncc1[Si](C)(C)C.
What is the InChIKey of [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane?
The InChIKey is HZNUEUGLIYAOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NSi/c1-16(2)17(3)20-14-21(24-15-22(20)25(7,8)9)18-11-10-12-19(13-18)23(4,5)6/h10-17H,1-9H3.
What are the key properties of [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane?
[6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane has a molecular weight of 353.63 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-tert-butylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 169038549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).