2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane

C60H78O2S6Si2 — CID 122402711

IUPAC2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane
SMILESCCCCC(CC)COc1cc(-c2ccc(-c3ccc(-c4ccc(SCC[Si](C)(C)C)cc4)s3)s2)c(OCC(CC)CCCC)cc1-c1ccc(-c2ccc(-c3ccc(SCC[Si](C)(C)C)cc3)s2)s1
InChIInChI=1S/C60H78O2S6Si2/c1-11-15-17-43(13-3)41-61-51-39-50(56-30-34-60(68-56)58-32-28-54(66-58)46-21-25-48(26-22-46)64-36-38-70(8,9)10)52(62-42-44(14-4)18-16-12-2)40-49(51)55-29-33-59(67-55)57-31-27-53(65-57)45-19-23-47(24-20-45)63-35-37-69(5,6)7/h19-34,39-40,43-44H,11-18,35-38,41-42H2,1-10H3
InChIKeyIZJJQOVXLNDTGS-UHFFFAOYSA-N
MW1079.86 g/mol
LogP21.99
Rot. Bonds28

About 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane

2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane (PubChem CID 122402711) has the molecular formula C60H78O2S6Si2 and a molecular weight of 1079.86 g/mol. Its IUPAC name is 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane
PubChem CID122402711
Molecular FormulaC60H78O2S6Si2
Molecular Weight1079.86 g/mol
Exact Mass1078.39
IUPAC Name2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane
SMILESCCCCC(CC)COc1cc(-c2ccc(-c3ccc(-c4ccc(SCC[Si](C)(C)C)cc4)s3)s2)c(OCC(CC)CCCC)cc1-c1ccc(-c2ccc(-c3ccc(SCC[Si](C)(C)C)cc3)s2)s1
InChIInChI=1S/C60H78O2S6Si2/c1-11-15-17-43(13-3)41-61-51-39-50(56-30-34-60(68-56)58-32-28-54(66-58)46-21-25-48(26-22-46)64-36-38-70(8,9)10)52(62-42-44(14-4)18-16-12-2)40-49(51)55-29-33-59(67-55)57-31-27-53(65-57)45-19-23-47(24-20-45)63-35-37-69(5,6)7/h19-34,39-40,43-44H,11-18,35-38,41-42H2,1-10H3
InChIKeyIZJJQOVXLNDTGS-UHFFFAOYSA-N
XLogP21.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.86
LogP ≤ 521.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane?
The IUPAC name of 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane (CID 122402711) is 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane.
What is the SMILES notation for 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane?
The canonical SMILES for 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane is CCCCC(CC)COc1cc(-c2ccc(-c3ccc(-c4ccc(SCC[Si](C)(C)C)cc4)s3)s2)c(OCC(CC)CCCC)cc1-c1ccc(-c2ccc(-c3ccc(SCC[Si](C)(C)C)cc3)s2)s1.
What is the InChIKey of 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane?
The InChIKey is IZJJQOVXLNDTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H78O2S6Si2/c1-11-15-17-43(13-3)41-61-51-39-50(56-30-34-60(68-56)58-32-28-54(66-58)46-21-25-48(26-22-46)64-36-38-70(8,9)10)52(62-42-44(14-4)18-16-12-2)40-49(51)55-29-33-59(67-55)57-31-27-53(65-57)45-19-23-47(24-20-45)63-35-37-69(5,6)7/h19-34,39-40,43-44H,11-18,35-38,41-42H2,1-10H3.
What are the key properties of 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane?
2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane has a molecular weight of 1079.86 g/mol, XLogP of 21.99, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[5-[2,5-bis(2-ethylhexoxy)-4-[5-[5-[4-(2-trimethylsilylethylsulfanyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]sulfanylethyl-trimethylsilane is sourced from PubChem (CID 122402711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).