[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane

C39H46S6Si — CID 10700156

About [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane

[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane (PubChem CID 10700156) has the molecular formula C39H46S6Si and a molecular weight of 735.29 g/mol. Its IUPAC name is [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
• PubChem CID: 10700156
• Molecular Formula: C39H46S6Si
• Molecular Weight: 735.29 g/mol
• Exact Mass: 734.17
• IUPAC Name: [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
• SMILES: CCCCc1cc(-c2ccc(-c3sc(-c4cc(CCCC)c(-c5ccc([Si](C)(C)C)s5)s4)cc3CCCC)s2)sc1-c1cccs1
• InChI: InChI=1S/C39H46S6Si/c1-7-10-14-26-23-33(43-37(26)30-17-13-22-40-30)29-18-19-31(41-29)38-27(15-11-8-2)24-34(44-38)35-25-28(16-12-9-3)39(45-35)32-20-21-36(42-32)46(4,5)6/h13,17-25H,7-12,14-16H2,1-6H3
• InChIKey: WMBMCCWLRODUMD-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.29
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane?

The IUPAC name of [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane (CID 10700156) is [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane.

What is the SMILES notation for [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane?

The canonical SMILES for [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane is CCCCc1cc(-c2ccc(-c3sc(-c4cc(CCCC)c(-c5ccc([Si](C)(C)C)s5)s4)cc3CCCC)s2)sc1-c1cccs1.

What is the InChIKey of [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane?

The InChIKey is WMBMCCWLRODUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46S6Si/c1-7-10-14-26-23-33(43-37(26)30-17-13-22-40-30)29-18-19-31(41-29)38-27(15-11-8-2)24-34(44-38)35-25-28(16-12-9-3)39(45-35)32-20-21-36(42-32)46(4,5)6/h13,17-25H,7-12,14-16H2,1-6H3.

What are the key properties of [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane?

[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane has a molecular weight of 735.29 g/mol, XLogP of 14.96, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane is sourced from PubChem (CID 10700156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).