(6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane

C24H28FNOSSi — CID 23171302

IUPAC(6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane
SMILESCCSc1ccc([Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cn1
InChIInChI=1S/C24H28FNOSSi/c1-4-28-24-15-13-21(18-26-24)29(2,3)16-8-9-19-12-14-22(25)23(17-19)27-20-10-6-5-7-11-20/h5-7,10-15,17-18H,4,8-9,16H2,1-3H3
InChIKeyULTXUAJOTJDKTH-UHFFFAOYSA-N
MW425.65 g/mol
LogP6.67
Rot. Bonds9

About (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane

(6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane (PubChem CID 23171302) has the molecular formula C24H28FNOSSi and a molecular weight of 425.65 g/mol. Its IUPAC name is (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane.

Molecular Properties

Compound Name(6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane
PubChem CID23171302
Molecular FormulaC24H28FNOSSi
Molecular Weight425.65 g/mol
Exact Mass425.16
IUPAC Name(6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane
SMILESCCSc1ccc([Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cn1
InChIInChI=1S/C24H28FNOSSi/c1-4-28-24-15-13-21(18-26-24)29(2,3)16-8-9-19-12-14-22(25)23(17-19)27-20-10-6-5-7-11-20/h5-7,10-15,17-18H,4,8-9,16H2,1-3H3
InChIKeyULTXUAJOTJDKTH-UHFFFAOYSA-N
XLogP6.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.65
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane;N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 174606315
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
CID 143888632
CID 143888632
methyl 4-(4-fluoro-3-phenoxyphenyl)butanoate
CID 150135778
1-fluoro-4-[4-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]pentyl]-2-phenoxybenzene
CID 54014319
4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene
CID 174257785
1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
CID 21269757
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 21269868
1,2-diethoxy-4-[6-(4-fluoro-3-phenoxyphenyl)-3-methylhex-1-en-3-yl]benzene
CID 70412699
5-[1,1,1-trifluoro-5-(4-fluoro-3-phenoxyphenyl)pentan-2-yl]-1,3-benzodioxole
CID 14278582
1-fluoro-2-phenoxy-4-[4-(4-prop-2-enoxyphenyl)hex-5-enyl]benzene
CID 139633611
4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene
CID 21269893

Frequently Asked Questions

What is the IUPAC name of (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane?
The IUPAC name of (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane (CID 23171302) is (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane.
What is the SMILES notation for (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane?
The canonical SMILES for (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane is CCSc1ccc([Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cn1.
What is the InChIKey of (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane?
The InChIKey is ULTXUAJOTJDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNOSSi/c1-4-28-24-15-13-21(18-26-24)29(2,3)16-8-9-19-12-14-22(25)23(17-19)27-20-10-6-5-7-11-20/h5-7,10-15,17-18H,4,8-9,16H2,1-3H3.
What are the key properties of (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane?
(6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane has a molecular weight of 425.65 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylsulfanyl-3-pyridinyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane is sourced from PubChem (CID 23171302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).