[5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane

C48H52S9Si4 — CID 102469982

IUPAC[5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2scc(-c3ccc(-c4ccsc4-c4ccc(-c5csc(-c6ccc([Si](C)(C)C)s6)c5-c5ccc([Si](C)(C)C)s5)s4)s3)c2-c2ccc([Si](C)(C)C)s2)s1
InChIInChI=1S/C48H52S9Si4/c1-58(2,3)40-21-17-35(54-40)44-30(27-50-47(44)38-19-23-42(56-38)60(7,8)9)33-14-13-32(52-33)29-25-26-49-46(29)37-16-15-34(53-37)31-28-51-48(39-20-24-43(57-39)61(10,11)12)45(31)36-18-22-41(55-36)59(4,5)6/h13-28H,1-12H3
InChIKeyQIYXYUZCTFQBMB-UHFFFAOYSA-N
MW1029.89 g/mol
LogP17.76
Rot. Bonds12

About [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane

[5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane (PubChem CID 102469982) has the molecular formula C48H52S9Si4 and a molecular weight of 1029.89 g/mol. Its IUPAC name is [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane
PubChem CID102469982
Molecular FormulaC48H52S9Si4
Molecular Weight1029.89 g/mol
Exact Mass1028.06
IUPAC Name[5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2scc(-c3ccc(-c4ccsc4-c4ccc(-c5csc(-c6ccc([Si](C)(C)C)s6)c5-c5ccc([Si](C)(C)C)s5)s4)s3)c2-c2ccc([Si](C)(C)C)s2)s1
InChIInChI=1S/C48H52S9Si4/c1-58(2,3)40-21-17-35(54-40)44-30(27-50-47(44)38-19-23-42(56-38)60(7,8)9)33-14-13-32(52-33)29-25-26-49-46(29)37-16-15-34(53-37)31-28-51-48(39-20-24-43(57-39)61(10,11)12)45(31)36-18-22-41(55-36)59(4,5)6/h13-28H,1-12H3
InChIKeyQIYXYUZCTFQBMB-UHFFFAOYSA-N
XLogP17.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.89
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane?
The IUPAC name of [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane (CID 102469982) is [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane.
What is the SMILES notation for [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane?
The canonical SMILES for [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2scc(-c3ccc(-c4ccsc4-c4ccc(-c5csc(-c6ccc([Si](C)(C)C)s6)c5-c5ccc([Si](C)(C)C)s5)s4)s3)c2-c2ccc([Si](C)(C)C)s2)s1.
What is the InChIKey of [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane?
The InChIKey is QIYXYUZCTFQBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52S9Si4/c1-58(2,3)40-21-17-35(54-40)44-30(27-50-47(44)38-19-23-42(56-38)60(7,8)9)33-14-13-32(52-33)29-25-26-49-46(29)37-16-15-34(53-37)31-28-51-48(39-20-24-43(57-39)61(10,11)12)45(31)36-18-22-41(55-36)59(4,5)6/h13-28H,1-12H3.
What are the key properties of [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane?
[5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane has a molecular weight of 1029.89 g/mol, XLogP of 17.76, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane is sourced from PubChem (CID 102469982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).