5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene

C59H70F6O8S4 — CID 146357064

About 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene

5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene (PubChem CID 146357064) has the molecular formula C59H70F6O8S4 and a molecular weight of 1149.46 g/mol. Its IUPAC name is 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene.

Molecular Properties

• Compound Name: 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene
• PubChem CID: 146357064
• Molecular Formula: C59H70F6O8S4
• Molecular Weight: 1149.46 g/mol
• Exact Mass: 1148.39
• IUPAC Name: 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene
• SMILES: CCOCCOCCOCCOc1ccc(CCc2sc(-c3ccc(C(C)(C)C)s3)cc2C2=C(c3cc(-c4ccc(C(C)(C)C)s4)sc3-c3ccc(OCCOCCOCCOCC)cc3)C(F)(F)C(F)(F)C2(F)F)cc1
• InChI: InChI=1S/C59H70F6O8S4/c1-9-66-25-27-68-29-31-70-33-35-72-41-16-11-39(12-17-41)13-20-45-43(37-48(74-45)46-21-23-50(75-46)55(3,4)5)52-53(58(62,63)59(64,65)57(52,60)61)44-38-49(47-22-24-51(76-47)56(6,7)8)77-54(44)40-14-18-42(19-15-40)73-36-34-71-32-30-69-28-26-67-10-2/h11-12,14-19,21-24,37-38H,9-10,13,20,25-36H2,1-8H3
• InChIKey: ULARIIJSDSKGHC-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 73.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.46
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene?

The IUPAC name of 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene (CID 146357064) is 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene.

What is the SMILES notation for 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene?

The canonical SMILES for 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene is CCOCCOCCOCCOc1ccc(CCc2sc(-c3ccc(C(C)(C)C)s3)cc2C2=C(c3cc(-c4ccc(C(C)(C)C)s4)sc3-c3ccc(OCCOCCOCCOCC)cc3)C(F)(F)C(F)(F)C2(F)F)cc1.

What is the InChIKey of 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene?

The InChIKey is ULARIIJSDSKGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H70F6O8S4/c1-9-66-25-27-68-29-31-70-33-35-72-41-16-11-39(12-17-41)13-20-45-43(37-48(74-45)46-21-23-50(75-46)55(3,4)5)52-53(58(62,63)59(64,65)57(52,60)61)44-38-49(47-22-24-51(76-47)56(6,7)8)77-54(44)40-14-18-42(19-15-40)73-36-34-71-32-30-69-28-26-67-10-2/h11-12,14-19,21-24,37-38H,9-10,13,20,25-36H2,1-8H3.

What are the key properties of 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene?

5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene has a molecular weight of 1149.46 g/mol, XLogP of 16.04, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]ethyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene is sourced from PubChem (CID 146357064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).