tributyl-(3,6-diphenylpyridazin-4-yl)stannane

C28H38N2Sn — CID 15074354

IUPACtributyl-(3,6-diphenylpyridazin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C16H11N2.3C4H9.Sn/c1-3-7-13(8-4-1)15-11-12-16(18-17-15)14-9-5-2-6-10-14;3*1-3-4-2;/h1-11H;3*1,3-4H2,2H3;
InChIKeyJYEYCVOGQNVMOC-UHFFFAOYSA-N
MW521.34 g/mol
LogP7.87
Rot. Bonds12

About tributyl-(3,6-diphenylpyridazin-4-yl)stannane

tributyl-(3,6-diphenylpyridazin-4-yl)stannane (PubChem CID 15074354) has the molecular formula C28H38N2Sn and a molecular weight of 521.34 g/mol. Its IUPAC name is tributyl-(3,6-diphenylpyridazin-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(3,6-diphenylpyridazin-4-yl)stannane
PubChem CID15074354
Molecular FormulaC28H38N2Sn
Molecular Weight521.34 g/mol
Exact Mass522.21
IUPAC Nametributyl-(3,6-diphenylpyridazin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C16H11N2.3C4H9.Sn/c1-3-7-13(8-4-1)15-11-12-16(18-17-15)14-9-5-2-6-10-14;3*1-3-4-2;/h1-11H;3*1,3-4H2,2H3;
InChIKeyJYEYCVOGQNVMOC-UHFFFAOYSA-N
XLogP7.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.34
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3,6-diphenylpyridazin-4-yl)stannane?
The IUPAC name of tributyl-(3,6-diphenylpyridazin-4-yl)stannane (CID 15074354) is tributyl-(3,6-diphenylpyridazin-4-yl)stannane.
What is the SMILES notation for tributyl-(3,6-diphenylpyridazin-4-yl)stannane?
The canonical SMILES for tributyl-(3,6-diphenylpyridazin-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of tributyl-(3,6-diphenylpyridazin-4-yl)stannane?
The InChIKey is JYEYCVOGQNVMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.3C4H9.Sn/c1-3-7-13(8-4-1)15-11-12-16(18-17-15)14-9-5-2-6-10-14;3*1-3-4-2;/h1-11H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3,6-diphenylpyridazin-4-yl)stannane?
tributyl-(3,6-diphenylpyridazin-4-yl)stannane has a molecular weight of 521.34 g/mol, XLogP of 7.87, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3,6-diphenylpyridazin-4-yl)stannane is sourced from PubChem (CID 15074354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).