[4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane

C29H31FN2Si — CID 155908942

IUPAC[4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane
SMILESCC(C)(C)c1ccc(-c2ccc([Si](C)(C)C)cc2-c2ccccn2)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C29H31FN2Si/c1-29(2,3)20-10-13-23(25(17-20)28-15-11-21(30)19-32-28)24-14-12-22(33(4,5)6)18-26(24)27-9-7-8-16-31-27/h7-19H,1-6H3
InChIKeyMIAAEYOKACEQAB-UHFFFAOYSA-N
MW454.67 g/mol
LogP7.46
Rot. Bonds4

About [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane

[4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane (PubChem CID 155908942) has the molecular formula C29H31FN2Si and a molecular weight of 454.67 g/mol. Its IUPAC name is [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane
PubChem CID155908942
Molecular FormulaC29H31FN2Si
Molecular Weight454.67 g/mol
Exact Mass454.22
IUPAC Name[4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane
SMILESCC(C)(C)c1ccc(-c2ccc([Si](C)(C)C)cc2-c2ccccn2)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C29H31FN2Si/c1-29(2,3)20-10-13-23(25(17-20)28-15-11-21(30)19-32-28)24-14-12-22(33(4,5)6)18-26(24)27-9-7-8-16-31-27/h7-19H,1-6H3
InChIKeyMIAAEYOKACEQAB-UHFFFAOYSA-N
XLogP7.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.67
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane?
The IUPAC name of [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane (CID 155908942) is [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane?
The canonical SMILES for [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane is CC(C)(C)c1ccc(-c2ccc([Si](C)(C)C)cc2-c2ccccn2)c(-c2ccc(F)cn2)c1.
What is the InChIKey of [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane?
The InChIKey is MIAAEYOKACEQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2Si/c1-29(2,3)20-10-13-23(25(17-20)28-15-11-21(30)19-32-28)24-14-12-22(33(4,5)6)18-26(24)27-9-7-8-16-31-27/h7-19H,1-6H3.
What are the key properties of [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane?
[4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane has a molecular weight of 454.67 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-3-pyridin-2-ylphenyl]-trimethylsilane is sourced from PubChem (CID 155908942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).