[3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane

C31H28F6S2Si — CID 156711257

About [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane

[3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane (PubChem CID 156711257) has the molecular formula C31H28F6S2Si and a molecular weight of 606.77 g/mol. Its IUPAC name is [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane
• PubChem CID: 156711257
• Molecular Formula: C31H28F6S2Si
• Molecular Weight: 606.77 g/mol
• Exact Mass: 606.13
• IUPAC Name: [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane
• SMILES: CC(C)c1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2[Si](C)(C)C)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C31H28F6S2Si/c1-18(2)27-21(16-23(38-27)19-12-8-6-9-13-19)25-26(30(34,35)31(36,37)29(25,32)33)22-17-24(20-14-10-7-11-15-20)39-28(22)40(3,4)5/h6-18H,1-5H3
• InChIKey: XTCRPHDZNWCYDY-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.77
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane?

The IUPAC name of [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane (CID 156711257) is [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane.

What is the SMILES notation for [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane?

The canonical SMILES for [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane is CC(C)c1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2[Si](C)(C)C)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane?

The InChIKey is XTCRPHDZNWCYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F6S2Si/c1-18(2)27-21(16-23(38-27)19-12-8-6-9-13-19)25-26(30(34,35)31(36,37)29(25,32)33)22-17-24(20-14-10-7-11-15-20)39-28(22)40(3,4)5/h6-18H,1-5H3.

What are the key properties of [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane?

[3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane has a molecular weight of 606.77 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3,3,4,4,5,5-hexafluoro-2-(5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]-trimethylsilane is sourced from PubChem (CID 156711257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).