tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane

C96H90OS24Si2 — CID 102132032

IUPACtris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane
SMILESCCCCSc1ccc(-c2ccc(-c3ccc([Si](O[Si](c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)(c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)(c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C96H90OS24Si2/c1-7-13-55-98-85-43-31-73(110-85)61-19-25-67(104-61)79-37-49-91(116-79)122(92-50-38-80(117-92)68-26-20-62(105-68)74-32-44-86(111-74)99-56-14-8-2,93-51-39-81(118-93)69-27-21-63(106-69)75-33-45-87(112-75)100-57-15-9-3)97-123(94-52-40-82(119-94)70-28-22-64(107-70)76-34-46-88(113-76)101-58-16-10-4,95-53-41-83(120-95)71-29-23-65(108-71)77-35-47-89(114-77)102-59-17-11-5)96-54-42-84(121-96)72-30-24-66(109-72)78-36-48-90(115-78)103-60-18-12-6/h19-54H,7-18,55-60H2,1-6H3
InChIKeyLHBDRFOWKGAOJL-UHFFFAOYSA-N
MW2085.55 g/mol
LogP36.80
Rot. Bonds44

About tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane

tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane (PubChem CID 102132032) has the molecular formula C96H90OS24Si2 and a molecular weight of 2085.55 g/mol. Its IUPAC name is tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane.

Molecular Properties

Compound Nametris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane
PubChem CID102132032
Molecular FormulaC96H90OS24Si2
Molecular Weight2085.55 g/mol
Exact Mass2081.98
IUPAC Nametris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane
SMILESCCCCSc1ccc(-c2ccc(-c3ccc([Si](O[Si](c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)(c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)(c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C96H90OS24Si2/c1-7-13-55-98-85-43-31-73(110-85)61-19-25-67(104-61)79-37-49-91(116-79)122(92-50-38-80(117-92)68-26-20-62(105-68)74-32-44-86(111-74)99-56-14-8-2,93-51-39-81(118-93)69-27-21-63(106-69)75-33-45-87(112-75)100-57-15-9-3)97-123(94-52-40-82(119-94)70-28-22-64(107-70)76-34-46-88(113-76)101-58-16-10-4,95-53-41-83(120-95)71-29-23-65(108-71)77-35-47-89(114-77)102-59-17-11-5)96-54-42-84(121-96)72-30-24-66(109-72)78-36-48-90(115-78)103-60-18-12-6/h19-54H,7-18,55-60H2,1-6H3
InChIKeyLHBDRFOWKGAOJL-UHFFFAOYSA-N
XLogP36.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002085.55
LogP ≤ 536.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane?
The IUPAC name of tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane (CID 102132032) is tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane.
What is the SMILES notation for tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane?
The canonical SMILES for tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane is CCCCSc1ccc(-c2ccc(-c3ccc([Si](O[Si](c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)(c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)(c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)c4ccc(-c5ccc(-c6ccc(SCCCC)s6)s5)s4)s3)s2)s1.
What is the InChIKey of tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane?
The InChIKey is LHBDRFOWKGAOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H90OS24Si2/c1-7-13-55-98-85-43-31-73(110-85)61-19-25-67(104-61)79-37-49-91(116-79)122(92-50-38-80(117-92)68-26-20-62(105-68)74-32-44-86(111-74)99-56-14-8-2,93-51-39-81(118-93)69-27-21-63(106-69)75-33-45-87(112-75)100-57-15-9-3)97-123(94-52-40-82(119-94)70-28-22-64(107-70)76-34-46-88(113-76)101-58-16-10-4,95-53-41-83(120-95)71-29-23-65(108-71)77-35-47-89(114-77)102-59-17-11-5)96-54-42-84(121-96)72-30-24-66(109-72)78-36-48-90(115-78)103-60-18-12-6/h19-54H,7-18,55-60H2,1-6H3.
What are the key properties of tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane?
tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane has a molecular weight of 2085.55 g/mol, XLogP of 36.80, 44 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane is sourced from PubChem (CID 102132032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).