tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane

C65H116S4Sn4 — CID 139255137

IUPACtributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(c2ccc([Sn](CCCC)(CCCC)CCCC)s2)(c2ccc([Sn](CCCC)(CCCC)CCCC)s2)c2ccc([Sn](CCCC)(CCCC)CCCC)s2)s1
InChIInChI=1S/C17H8S4.12C4H9.4Sn/c1-5-13(18-9-1)17(14-6-2-10-19-14,15-7-3-11-20-15)16-8-4-12-21-16;12*1-3-4-2;;;;/h1-8H;12*1,3-4H2,2H3;;;;
InChIKeyJWLKLYHJWVHIAY-UHFFFAOYSA-N
MW1500.75 g/mol
LogP22.54
Rot. Bonds44

About tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane

tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane (PubChem CID 139255137) has the molecular formula C65H116S4Sn4 and a molecular weight of 1500.75 g/mol. Its IUPAC name is tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
PubChem CID139255137
Molecular FormulaC65H116S4Sn4
Molecular Weight1500.75 g/mol
Exact Mass1504.40
IUPAC Nametributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(c2ccc([Sn](CCCC)(CCCC)CCCC)s2)(c2ccc([Sn](CCCC)(CCCC)CCCC)s2)c2ccc([Sn](CCCC)(CCCC)CCCC)s2)s1
InChIInChI=1S/C17H8S4.12C4H9.4Sn/c1-5-13(18-9-1)17(14-6-2-10-19-14,15-7-3-11-20-15)16-8-4-12-21-16;12*1-3-4-2;;;;/h1-8H;12*1,3-4H2,2H3;;;;
InChIKeyJWLKLYHJWVHIAY-UHFFFAOYSA-N
XLogP22.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001500.75
LogP ≤ 522.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane?
The IUPAC name of tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane (CID 139255137) is tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane?
The canonical SMILES for tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(C(c2ccc([Sn](CCCC)(CCCC)CCCC)s2)(c2ccc([Sn](CCCC)(CCCC)CCCC)s2)c2ccc([Sn](CCCC)(CCCC)CCCC)s2)s1.
What is the InChIKey of tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane?
The InChIKey is JWLKLYHJWVHIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8S4.12C4H9.4Sn/c1-5-13(18-9-1)17(14-6-2-10-19-14,15-7-3-11-20-15)16-8-4-12-21-16;12*1-3-4-2;;;;/h1-8H;12*1,3-4H2,2H3;;;;.
What are the key properties of tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane?
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane has a molecular weight of 1500.75 g/mol, XLogP of 22.54, 44 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane is sourced from PubChem (CID 139255137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).