tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane

C34H42O2SSn — CID 162486745

IUPACtributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2c(Oc3ccccc3)cccc2Oc2ccccc2)s1
InChIInChI=1S/C22H15O2S.3C4H9.Sn/c1-3-9-17(10-4-1)23-19-13-7-14-20(22(19)21-15-8-16-25-21)24-18-11-5-2-6-12-18;3*1-3-4-2;/h1-15H;3*1,3-4H2,2H3;
InChIKeyXHDCMBLZGYFESI-UHFFFAOYSA-N
MW633.49 g/mol
LogP11.06
Rot. Bonds15

About tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane

tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane (PubChem CID 162486745) has the molecular formula C34H42O2SSn and a molecular weight of 633.49 g/mol. Its IUPAC name is tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane
PubChem CID162486745
Molecular FormulaC34H42O2SSn
Molecular Weight633.49 g/mol
Exact Mass634.19
IUPAC Nametributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2c(Oc3ccccc3)cccc2Oc2ccccc2)s1
InChIInChI=1S/C22H15O2S.3C4H9.Sn/c1-3-9-17(10-4-1)23-19-13-7-14-20(22(19)21-15-8-16-25-21)24-18-11-5-2-6-12-18;3*1-3-4-2;/h1-15H;3*1,3-4H2,2H3;
InChIKeyXHDCMBLZGYFESI-UHFFFAOYSA-N
XLogP11.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.49
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane
CID 69434687
tributyl-[5-(9H-fluoren-1-yl)thiophen-2-yl]stannane
CID 175243428
[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane
CID 156600245
1,3-diphenoxy-2-phenylbenzene
CID 88611434
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
CID 139255137
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
1-pentadecyl-2-phenoxybenzene
CID 101290758
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane
CID 142513471
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510

Frequently Asked Questions

What is the IUPAC name of tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane?
The IUPAC name of tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane (CID 162486745) is tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane?
The canonical SMILES for tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(-c2c(Oc3ccccc3)cccc2Oc2ccccc2)s1.
What is the InChIKey of tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane?
The InChIKey is XHDCMBLZGYFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15O2S.3C4H9.Sn/c1-3-9-17(10-4-1)23-19-13-7-14-20(22(19)21-15-8-16-25-21)24-18-11-5-2-6-12-18;3*1-3-4-2;/h1-15H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane?
tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane has a molecular weight of 633.49 g/mol, XLogP of 11.06, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane is sourced from PubChem (CID 162486745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).