trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane

C50H66S4Si4 — CID 140823939

IUPACtrimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2cc(-c3sccc3C#C[Si](C)(C)C)sc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(-c3sccc3C#C[Si](C)(C)C)sc12)(C(C)C)C(C)C
InChIInChI=1S/C50H66S4Si4/c1-33(2)57(34(3)4,35(5)6)29-23-41-43-31-45(47-39(19-25-51-47)21-27-55(13,14)15)54-50(43)42(24-30-58(36(7)8,37(9)10)38(11)12)44-32-46(53-49(41)44)48-40(20-26-52-48)22-28-56(16,17)18/h19-20,25-26,31-38H,1-18H3
InChIKeyQJXHDSDUCCLQDR-UHFFFAOYSA-N
MW907.69 g/mol
LogP17.17
Rot. Bonds8

About trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane

trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane (PubChem CID 140823939) has the molecular formula C50H66S4Si4 and a molecular weight of 907.69 g/mol. Its IUPAC name is trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane
PubChem CID140823939
Molecular FormulaC50H66S4Si4
Molecular Weight907.69 g/mol
Exact Mass906.31
IUPAC Nametrimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2cc(-c3sccc3C#C[Si](C)(C)C)sc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(-c3sccc3C#C[Si](C)(C)C)sc12)(C(C)C)C(C)C
InChIInChI=1S/C50H66S4Si4/c1-33(2)57(34(3)4,35(5)6)29-23-41-43-31-45(47-39(19-25-51-47)21-27-55(13,14)15)54-50(43)42(24-30-58(36(7)8,37(9)10)38(11)12)44-32-46(53-49(41)44)48-40(20-26-52-48)22-28-56(16,17)18/h19-20,25-26,31-38H,1-18H3
InChIKeyQJXHDSDUCCLQDR-UHFFFAOYSA-N
XLogP17.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.69
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane (CID 140823939) is trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2cc(-c3sccc3C#C[Si](C)(C)C)sc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(-c3sccc3C#C[Si](C)(C)C)sc12)(C(C)C)C(C)C.
What is the InChIKey of trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane?
The InChIKey is QJXHDSDUCCLQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H66S4Si4/c1-33(2)57(34(3)4,35(5)6)29-23-41-43-31-45(47-39(19-25-51-47)21-27-55(13,14)15)54-50(43)42(24-30-58(36(7)8,37(9)10)38(11)12)44-32-46(53-49(41)44)48-40(20-26-52-48)22-28-56(16,17)18/h19-20,25-26,31-38H,1-18H3.
What are the key properties of trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane?
trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane has a molecular weight of 907.69 g/mol, XLogP of 17.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-[2-[3-(2-trimethylsilylethynyl)thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-3-yl]ethynyl]silane is sourced from PubChem (CID 140823939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).