tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane

C35H50FNSn — CID 67715048

IUPACtributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane
SMILESC=C(C1(C(C)C)C=C(c2ccc(F)cc2C)C=C(c2ccccc2)N1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C23H23FN.3C4H9.Sn/c1-5-23(16(2)3)15-19(21-12-11-20(24)13-17(21)4)14-22(25-23)18-9-7-6-8-10-18;3*1-3-4-2;/h6-16,25H,1H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyCLFCBAYKHMFTKA-UHFFFAOYSA-N
MW622.50 g/mol
LogP10.50
Rot. Bonds14

About tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane

tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane (PubChem CID 67715048) has the molecular formula C35H50FNSn and a molecular weight of 622.50 g/mol. Its IUPAC name is tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane.

Molecular Properties

Compound Nametributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane
PubChem CID67715048
Molecular FormulaC35H50FNSn
Molecular Weight622.50 g/mol
Exact Mass623.29
IUPAC Nametributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane
SMILESC=C(C1(C(C)C)C=C(c2ccc(F)cc2C)C=C(c2ccccc2)N1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C23H23FN.3C4H9.Sn/c1-5-23(16(2)3)15-19(21-12-11-20(24)13-17(21)4)14-22(25-23)18-9-7-6-8-10-18;3*1-3-4-2;/h6-16,25H,1H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyCLFCBAYKHMFTKA-UHFFFAOYSA-N
XLogP10.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.50
LogP ≤ 510.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane?
The IUPAC name of tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane (CID 67715048) is tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane.
What is the SMILES notation for tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane?
The canonical SMILES for tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane is C=C(C1(C(C)C)C=C(c2ccc(F)cc2C)C=C(c2ccccc2)N1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane?
The InChIKey is CLFCBAYKHMFTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN.3C4H9.Sn/c1-5-23(16(2)3)15-19(21-12-11-20(24)13-17(21)4)14-22(25-23)18-9-7-6-8-10-18;3*1-3-4-2;/h6-16,25H,1H2,2-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane?
tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane has a molecular weight of 622.50 g/mol, XLogP of 10.50, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[1-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-1H-pyridin-2-yl]ethenyl]stannane is sourced from PubChem (CID 67715048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).