tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane

C28H42S3Sn — CID 140799576

IUPACtributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
SMILESCCCCc1ccc(-c2ccc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)s2)s1
InChIInChI=1S/C16H15S3.3C4H9.Sn/c1-2-3-5-12-7-8-15(18-12)16-10-9-14(19-16)13-6-4-11-17-13;3*1-3-4-2;/h4,6-10H,2-3,5H2,1H3;3*1,3-4H2,2H3;
InChIKeyPYFPRNVWEWTYMZ-UHFFFAOYSA-N
MW593.56 g/mol
LogP10.60
Rot. Bonds15

About tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane

tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane (PubChem CID 140799576) has the molecular formula C28H42S3Sn and a molecular weight of 593.56 g/mol. Its IUPAC name is tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
PubChem CID140799576
Molecular FormulaC28H42S3Sn
Molecular Weight593.56 g/mol
Exact Mass594.15
IUPAC Nametributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
SMILESCCCCc1ccc(-c2ccc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)s2)s1
InChIInChI=1S/C16H15S3.3C4H9.Sn/c1-2-3-5-12-7-8-15(18-12)16-10-9-14(19-16)13-6-4-11-17-13;3*1-3-4-2;/h4,6-10H,2-3,5H2,1H3;3*1,3-4H2,2H3;
InChIKeyPYFPRNVWEWTYMZ-UHFFFAOYSA-N
XLogP10.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.56
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
tributyl-[5-(6,6-dimethylheptyl)thiophen-2-yl]stannane
CID 176853407
[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane
CID 156600245
[5-[3-butyl-5-[4-butyl-5-[5-[4-butyl-5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 10701238
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
CID 139255137
2,5-bis[5-[2-(5-butylthiophen-2-yl)ethynyl]thiophen-2-yl]thiophene
CID 58825507
4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-7-[5-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 102170175
tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane
CID 140776373
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668

Frequently Asked Questions

What is the IUPAC name of tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane?
The IUPAC name of tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane (CID 140799576) is tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane?
The canonical SMILES for tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane is CCCCc1ccc(-c2ccc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)s2)s1.
What is the InChIKey of tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane?
The InChIKey is PYFPRNVWEWTYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15S3.3C4H9.Sn/c1-2-3-5-12-7-8-15(18-12)16-10-9-14(19-16)13-6-4-11-17-13;3*1-3-4-2;/h4,6-10H,2-3,5H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane?
tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane has a molecular weight of 593.56 g/mol, XLogP of 10.60, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane is sourced from PubChem (CID 140799576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).