dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene

C52H50S10Si — CID 173039957

IUPACdibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene
SMILESCCCC[SiH](CCCC)c1csc(-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1CC.CCc1ccsc1-c1sc(-c2cccs2)c(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C30H34S5Si.C22H16S5/c1-4-7-18-36(19-8-5-2)25-20-34-28(21(25)6-3)30-27(23-13-10-16-32-23)26(22-12-9-15-31-22)29(35-30)24-14-11-17-33-24;1-2-14-9-13-26-20(14)22-19(16-7-4-11-24-16)18(15-6-3-10-23-15)21(27-22)17-8-5-12-25-17/h9-17,20,36H,4-8,18-19H2,1-3H3;3-13H,2H2,1H3
InChIKeyZCZIIMBSTWCQHE-UHFFFAOYSA-N
MW1023.73 g/mol
LogP20.48
Rot. Bonds17

About dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene

dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene (PubChem CID 173039957) has the molecular formula C52H50S10Si and a molecular weight of 1023.73 g/mol. Its IUPAC name is dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene.

Molecular Properties

Compound Namedibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene
PubChem CID173039957
Molecular FormulaC52H50S10Si
Molecular Weight1023.73 g/mol
Exact Mass1022.09
IUPAC Namedibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene
SMILESCCCC[SiH](CCCC)c1csc(-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1CC.CCc1ccsc1-c1sc(-c2cccs2)c(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C30H34S5Si.C22H16S5/c1-4-7-18-36(19-8-5-2)25-20-34-28(21(25)6-3)30-27(23-13-10-16-32-23)26(22-12-9-15-31-22)29(35-30)24-14-11-17-33-24;1-2-14-9-13-26-20(14)22-19(16-7-4-11-24-16)18(15-6-3-10-23-15)21(27-22)17-8-5-12-25-17/h9-17,20,36H,4-8,18-19H2,1-3H3;3-13H,2H2,1H3
InChIKeyZCZIIMBSTWCQHE-UHFFFAOYSA-N
XLogP20.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.73
LogP ≤ 520.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene?
The IUPAC name of dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene (CID 173039957) is dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene.
What is the SMILES notation for dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene?
The canonical SMILES for dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene is CCCC[SiH](CCCC)c1csc(-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1CC.CCc1ccsc1-c1sc(-c2cccs2)c(-c2cccs2)c1-c1cccs1.
What is the InChIKey of dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene?
The InChIKey is ZCZIIMBSTWCQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34S5Si.C22H16S5/c1-4-7-18-36(19-8-5-2)25-20-34-28(21(25)6-3)30-27(23-13-10-16-32-23)26(22-12-9-15-31-22)29(35-30)24-14-11-17-33-24;1-2-14-9-13-26-20(14)22-19(16-7-4-11-24-16)18(15-6-3-10-23-15)21(27-22)17-8-5-12-25-17/h9-17,20,36H,4-8,18-19H2,1-3H3;3-13H,2H2,1H3.
What are the key properties of dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene?
dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene has a molecular weight of 1023.73 g/mol, XLogP of 20.48, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene is sourced from PubChem (CID 173039957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).