dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane

C24H24F3NSi — CID 135057932

IUPACdimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane
SMILESCC/C(=C(/c1ccccc1)[Si](C)(C)c1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3NSi/c1-4-21(18-13-15-20(16-14-18)24(25,26)27)23(19-10-6-5-7-11-19)29(2,3)22-12-8-9-17-28-22/h5-17H,4H2,1-3H3/b23-21+
InChIKeyBXYBCKMYDHDWOY-XTQSDGFTSA-N
MW411.54 g/mol
LogP6.58
Rot. Bonds5

About dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane

dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane (PubChem CID 135057932) has the molecular formula C24H24F3NSi and a molecular weight of 411.54 g/mol. Its IUPAC name is dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane.

Molecular Properties

Compound Namedimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane
PubChem CID135057932
Molecular FormulaC24H24F3NSi
Molecular Weight411.54 g/mol
Exact Mass411.16
IUPAC Namedimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane
SMILESCC/C(=C(/c1ccccc1)[Si](C)(C)c1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3NSi/c1-4-21(18-13-15-20(16-14-18)24(25,26)27)23(19-10-6-5-7-11-19)29(2,3)22-12-8-9-17-28-22/h5-17H,4H2,1-3H3/b23-21+
InChIKeyBXYBCKMYDHDWOY-XTQSDGFTSA-N
XLogP6.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.54
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Phenylpyridine
CID 13651
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
3-Hexylpyridine
CID 22766
3-Phenyl-4-propylpyridine
CID 104638
3-Benzylpyridine
CID 12112
4-(2,2-Diphenylethenyl)pyridine
CID 4594970
3-(1-Methyl-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540050
3-(1-Ethyl-3,4-dihydronaphthalen-2-yl)-pyridine
CID 6540051

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane?
The IUPAC name of dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane (CID 135057932) is dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane.
What is the SMILES notation for dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane?
The canonical SMILES for dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane is CC/C(=C(/c1ccccc1)[Si](C)(C)c1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane?
The InChIKey is BXYBCKMYDHDWOY-XTQSDGFTSA-N. The full InChI is InChI=1S/C24H24F3NSi/c1-4-21(18-13-15-20(16-14-18)24(25,26)27)23(19-10-6-5-7-11-19)29(2,3)22-12-8-9-17-28-22/h5-17H,4H2,1-3H3/b23-21+.
What are the key properties of dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane?
dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane has a molecular weight of 411.54 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E)-1-phenyl-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-pyridin-2-ylsilane is sourced from PubChem (CID 135057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).