[benzotriazol-1-yl(phenyl)methyl]-tributylstannane

C25H37N3Sn — CID 3746336

IUPAC[benzotriazol-1-yl(phenyl)methyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)C(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C13H10N3.3C4H9.Sn/c1-2-6-11(7-3-1)10-16-13-9-5-4-8-12(13)14-15-16;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;
InChIKeyCAKRWJRDROTPDU-UHFFFAOYSA-N
MW498.30 g/mol
LogP7.41
Rot. Bonds12

About [benzotriazol-1-yl(phenyl)methyl]-tributylstannane

[benzotriazol-1-yl(phenyl)methyl]-tributylstannane (PubChem CID 3746336) has the molecular formula C25H37N3Sn and a molecular weight of 498.30 g/mol. Its IUPAC name is [benzotriazol-1-yl(phenyl)methyl]-tributylstannane.

Molecular Properties

Compound Name[benzotriazol-1-yl(phenyl)methyl]-tributylstannane
PubChem CID3746336
Molecular FormulaC25H37N3Sn
Molecular Weight498.30 g/mol
Exact Mass499.20
IUPAC Name[benzotriazol-1-yl(phenyl)methyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)C(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C13H10N3.3C4H9.Sn/c1-2-6-11(7-3-1)10-16-13-9-5-4-8-12(13)14-15-16;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;
InChIKeyCAKRWJRDROTPDU-UHFFFAOYSA-N
XLogP7.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.30
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
1-(1-chlorododecyl)benzotriazole
CID 4561404
N-[1-(benzotriazol-1-yl)butyl]aniline
CID 14661999
1-(1-methylsulfanylpentyl)benzotriazole
CID 3754515
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
1-(1-phenoxyhexyl)benzotriazole
CID 3453762
N-[1-(benzotriazol-1-yl)ethyl]-N-dodecyldodecan-1-amine
CID 67608822
1-(1-ethoxyoctyl)benzotriazole
CID 169096001
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-[diethoxyphosphoryl(phenyl)methyl]benzotriazole
CID 3702071
1-(benzotriazol-1-yl)-2-methyl-N-(1-phenylethyl)propan-1-amine
CID 3726579

Frequently Asked Questions

What is the IUPAC name of [benzotriazol-1-yl(phenyl)methyl]-tributylstannane?
The IUPAC name of [benzotriazol-1-yl(phenyl)methyl]-tributylstannane (CID 3746336) is [benzotriazol-1-yl(phenyl)methyl]-tributylstannane.
What is the SMILES notation for [benzotriazol-1-yl(phenyl)methyl]-tributylstannane?
The canonical SMILES for [benzotriazol-1-yl(phenyl)methyl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)C(c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of [benzotriazol-1-yl(phenyl)methyl]-tributylstannane?
The InChIKey is CAKRWJRDROTPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3.3C4H9.Sn/c1-2-6-11(7-3-1)10-16-13-9-5-4-8-12(13)14-15-16;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;.
What are the key properties of [benzotriazol-1-yl(phenyl)methyl]-tributylstannane?
[benzotriazol-1-yl(phenyl)methyl]-tributylstannane has a molecular weight of 498.30 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzotriazol-1-yl(phenyl)methyl]-tributylstannane is sourced from PubChem (CID 3746336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).