tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane

C36H55NO2Si2 — CID 139657241

IUPACtert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCc1ccc(-c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc2)cc1
InChIInChI=1S/C36H55NO2Si2/c1-35(2,3)40(7,8)38-27-15-13-11-12-14-16-29-17-19-30(20-18-29)32-23-26-34(37-28-32)31-21-24-33(25-22-31)39-41(9,10)36(4,5)6/h17-26,28H,11-16,27H2,1-10H3
InChIKeyCWMOFFSVWVEOBR-UHFFFAOYSA-N
MW590.01 g/mol
LogP11.31
Rot. Bonds13

About tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane

tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane (PubChem CID 139657241) has the molecular formula C36H55NO2Si2 and a molecular weight of 590.01 g/mol. Its IUPAC name is tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane
PubChem CID139657241
Molecular FormulaC36H55NO2Si2
Molecular Weight590.01 g/mol
Exact Mass589.38
IUPAC Nametert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCc1ccc(-c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc2)cc1
InChIInChI=1S/C36H55NO2Si2/c1-35(2,3)40(7,8)38-27-15-13-11-12-14-16-29-17-19-30(20-18-29)32-23-26-34(37-28-32)31-21-24-33(25-22-31)39-41(9,10)36(4,5)6/h17-26,28H,11-16,27H2,1-10H3
InChIKeyCWMOFFSVWVEOBR-UHFFFAOYSA-N
XLogP11.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.01
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2,5-bis(4-octylphenyl)pyridine
CID 139839621
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410
tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
CID 175965094
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-(4-octylphenyl)-5-(4-pentoxybutoxy)pyridine
CID 22445600
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
CID 22445595

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane (CID 139657241) is tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCCCc1ccc(-c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc2)cc1.
What is the InChIKey of tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane?
The InChIKey is CWMOFFSVWVEOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H55NO2Si2/c1-35(2,3)40(7,8)38-27-15-13-11-12-14-16-29-17-19-30(20-18-29)32-23-26-34(37-28-32)31-21-24-33(25-22-31)39-41(9,10)36(4,5)6/h17-26,28H,11-16,27H2,1-10H3.
What are the key properties of tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane has a molecular weight of 590.01 g/mol, XLogP of 11.31, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 139657241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).