[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

C51H72S6SiSn — CID 10701238

IUPAC[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
SMILESCCCCc1cc(-c2cc(CCCC)c(-c3ccc([Si](C)(C)C)s3)s2)sc1-c1ccc(-c2cc(CCCC)c(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)s2)s1
InChIInChI=1S/C39H45S6Si.3C4H9.Sn/c1-7-10-14-26-23-33(43-37(26)30-17-13-22-40-30)29-18-19-31(41-29)38-27(15-11-8-2)24-34(44-38)35-25-28(16-12-9-3)39(45-35)32-20-21-36(42-32)46(4,5)6;3*1-3-4-2;/h13,17-21,23-25H,7-12,14-16H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyRWWROVQBIAIYLN-UHFFFAOYSA-N
MW1024.34 g/mol
LogP19.02
Rot. Bonds25

About [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

[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 (PubChem CID 10701238) has the molecular formula C51H72S6SiSn and a molecular weight of 1024.34 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID10701238
Molecular FormulaC51H72S6SiSn
Molecular Weight1024.34 g/mol
Exact Mass1024.27
IUPAC Name[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
SMILESCCCCc1cc(-c2cc(CCCC)c(-c3ccc([Si](C)(C)C)s3)s2)sc1-c1ccc(-c2cc(CCCC)c(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)s2)s1
InChIInChI=1S/C39H45S6Si.3C4H9.Sn/c1-7-10-14-26-23-33(43-37(26)30-17-13-22-40-30)29-18-19-31(41-29)38-27(15-11-8-2)24-34(44-38)35-25-28(16-12-9-3)39(45-35)32-20-21-36(42-32)46(4,5)6;3*1-3-4-2;/h13,17-21,23-25H,7-12,14-16H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyRWWROVQBIAIYLN-UHFFFAOYSA-N
XLogP19.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.34
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Related Compounds

[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 10700156
tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
CID 140799576
[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane
CID 156600245
3-octadecyl-5-[3-octadecyl-5-[5-[4-octadecyl-5-[4-octadecyl-5-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 100961610
tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane
CID 11600630
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
3,12,25,34-tetraoctyl-45,46,47,48,49,50,51,52,53,54-decathiaundecacyclo[40.2.1.12,5.16,9.110,13.114,17.120,23.124,27.128,31.132,35.136,39]tetrapentaconta-1(44),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32,34,36,38,42-icosaene
CID 101094736
3-hexyl-2-[5-[5-[4-hexyl-5-[4-hexyl-5-[5-[5-(4-hexyl-5-phenylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 59515125
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene
CID 58159360
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene;hydrofluoride
CID 157282675

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCCCc1cc(-c2cc(CCCC)c(-c3ccc([Si](C)(C)C)s3)s2)sc1-c1ccc(-c2cc(CCCC)c(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)s2)s1.
What is the InChIKey of [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?
The InChIKey is RWWROVQBIAIYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45S6Si.3C4H9.Sn/c1-7-10-14-26-23-33(43-37(26)30-17-13-22-40-30)29-18-19-31(41-29)38-27(15-11-8-2)24-34(44-38)35-25-28(16-12-9-3)39(45-35)32-20-21-36(42-32)46(4,5)6;3*1-3-4-2;/h13,17-21,23-25H,7-12,14-16H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of [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?
[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 has a molecular weight of 1024.34 g/mol, XLogP of 19.02, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 10701238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).