3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane

C58H26Br4F12S32 — CID 159365856

About 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane

3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane (PubChem CID 159365856) has the molecular formula C58H26Br4F12S32 and a molecular weight of 2296.58 g/mol. Its IUPAC name is 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane.

Molecular Properties

• Compound Name: 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane
• PubChem CID: 159365856
• Molecular Formula: C58H26Br4F12S32
• Molecular Weight: 2296.58 g/mol
• Exact Mass: 2288.96
• IUPAC Name: 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane
• SMILES: FC1(F)C(c2cc(-c3ccc(Br)s3)sc2-c2ccc(Br)s2)=C(c2cc(-c3ccc(Br)s3)sc2-c2ccc(Br)s2)C(F)(F)C1(F)F.FC1(F)C(c2cc(-c3cccs3)sc2-c2cccs2)=C(c2cc(-c3cccs3)sc2-c2cccs2)C(F)(F)C1(F)F.S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C29H10Br4F6S6.C29H14F6S6.S19.H2S/c30-19-5-1-13(40-19)17-9-11(25(44-17)15-3-7-21(32)42-15)23-24(28(36,37)29(38,39)27(23,34)35)12-10-18(14-2-6-20(31)41-14)45-26(12)16-4-8-22(33)43-16;30-27(31)23(15-13-21(17-5-1-9-36-17)40-25(15)19-7-3-11-38-19)24(28(32,33)29(27,34)35)16-14-22(18-6-2-10-37-18)41-26(16)20-8-4-12-39-20;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h1-10H;1-14H;;1H2
• InChIKey: LJCUOEIEJKDKON-UHFFFAOYSA-N
• XLogP: 28.23
• TPSA: 0.00 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2296.58
LogP ≤ 5	28.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane?

The IUPAC name of 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane (CID 159365856) is 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane.

What is the SMILES notation for 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane?

The canonical SMILES for 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane is FC1(F)C(c2cc(-c3ccc(Br)s3)sc2-c2ccc(Br)s2)=C(c2cc(-c3ccc(Br)s3)sc2-c2ccc(Br)s2)C(F)(F)C1(F)F.FC1(F)C(c2cc(-c3cccs3)sc2-c2cccs2)=C(c2cc(-c3cccs3)sc2-c2cccs2)C(F)(F)C1(F)F.S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.

What is the InChIKey of 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane?

The InChIKey is LJCUOEIEJKDKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H10Br4F6S6.C29H14F6S6.S19.H2S/c30-19-5-1-13(40-19)17-9-11(25(44-17)15-3-7-21(32)42-15)23-24(28(36,37)29(38,39)27(23,34)35)12-10-18(14-2-6-20(31)41-14)45-26(12)16-4-8-22(33)43-16;30-27(31)23(15-13-21(17-5-1-9-36-17)40-25(15)19-7-3-11-38-19)24(28(32,33)29(27,34)35)16-14-22(18-6-2-10-37-18)41-26(16)20-8-4-12-39-20;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h1-10H;1-14H;;1H2.

What are the key properties of 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane?

3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane has a molecular weight of 2296.58 g/mol, XLogP of 28.23, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-[2-(2,5-dithiophen-2-ylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dithiophen-2-ylthiophene;sulfane is sourced from PubChem (CID 159365856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).