tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane

C23H26FNOSi — CID 102444230

IUPACtert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(-c2cc(-c3ccc(F)cc3)ccn2)c1
InChIInChI=1S/C23H26FNOSi/c1-23(2,3)27(4,5)26-21-8-6-7-19(15-21)22-16-18(13-14-25-22)17-9-11-20(24)12-10-17/h6-16H,1-5H3
InChIKeyAOHQKIMYCUXEFJ-UHFFFAOYSA-N
MW379.55 g/mol
LogP6.94
Rot. Bonds4

About tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane

tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane (PubChem CID 102444230) has the molecular formula C23H26FNOSi and a molecular weight of 379.55 g/mol. Its IUPAC name is tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane
PubChem CID102444230
Molecular FormulaC23H26FNOSi
Molecular Weight379.55 g/mol
Exact Mass379.18
IUPAC Nametert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(-c2cc(-c3ccc(F)cc3)ccn2)c1
InChIInChI=1S/C23H26FNOSi/c1-23(2,3)27(4,5)26-21-8-6-7-19(15-21)22-16-18(13-14-25-22)17-9-11-20(24)12-10-17/h6-16H,1-5H3
InChIKeyAOHQKIMYCUXEFJ-UHFFFAOYSA-N
XLogP6.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 56.94
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

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
4''-(2-Methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-3-ol
CID 46854605
3-Fluoro-4''-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-4-ol
CID 49799473
Vrk-IN-1
CID 155511407
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane (CID 102444230) is tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(-c2cc(-c3ccc(F)cc3)ccn2)c1.
What is the InChIKey of tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane?
The InChIKey is AOHQKIMYCUXEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNOSi/c1-23(2,3)27(4,5)26-21-8-6-7-19(15-21)22-16-18(13-14-25-22)17-9-11-20(24)12-10-17/h6-16H,1-5H3.
What are the key properties of tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane?
tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane has a molecular weight of 379.55 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 102444230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).