tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane

C28H28FNOSi — CID 23370183

IUPACtert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1cccc(-c2ccc(F)cc2)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28FNOSi/c1-28(2,3)32(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-21-24-11-10-16-27(30-24)22-17-19-23(29)20-18-22/h4-20H,21H2,1-3H3
InChIKeyBULIMSGLMNAKRX-UHFFFAOYSA-N
MW441.62 g/mol
LogP5.96
Rot. Bonds6

About tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane

tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane (PubChem CID 23370183) has the molecular formula C28H28FNOSi and a molecular weight of 441.62 g/mol. Its IUPAC name is tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane
PubChem CID23370183
Molecular FormulaC28H28FNOSi
Molecular Weight441.62 g/mol
Exact Mass441.19
IUPAC Nametert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1cccc(-c2ccc(F)cc2)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28FNOSi/c1-28(2,3)32(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-21-24-11-10-16-27(30-24)22-17-19-23(29)20-18-22/h4-20H,21H2,1-3H3
InChIKeyBULIMSGLMNAKRX-UHFFFAOYSA-N
XLogP5.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane
CID 102158607
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-3-pentyl-6-propan-2-yl-2-pyridinyl]propan-2-ol
CID 22005138
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid
CID 70132244
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine
CID 68911746
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
CID 102228376
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
tert-butyl-diphenyl-[(1-propan-2-ylimidazol-4-yl)methoxy]silane
CID 71087288

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane (CID 23370183) is tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane is CC(C)(C)[Si](OCc1cccc(-c2ccc(F)cc2)n1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane?
The InChIKey is BULIMSGLMNAKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FNOSi/c1-28(2,3)32(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-21-24-11-10-16-27(30-24)22-17-19-23(29)20-18-22/h4-20H,21H2,1-3H3.
What are the key properties of tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane?
tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane has a molecular weight of 441.62 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane is sourced from PubChem (CID 23370183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).