5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane

C71H46Br2F12N4S4 — CID 163897151

About 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane

5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane (PubChem CID 163897151) has the molecular formula C71H46Br2F12N4S4 and a molecular weight of 1471.23 g/mol. Its IUPAC name is 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane.

Molecular Properties

• Compound Name: 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane
• PubChem CID: 163897151
• Molecular Formula: C71H46Br2F12N4S4
• Molecular Weight: 1471.23 g/mol
• Exact Mass: 1468.08
• IUPAC Name: 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane
• SMILES: C.Cc1sc(-c2cc(-c3cccnc3)cc(-c3cnc4ccccc4c3)c2)cc1C1=C(c2cc(-c3cc(-c4cccnc4)cc(-c4cnc5ccccc5c4)c3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(Br)cc1C1=C(c2cc(Br)sc2C)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C55H34F6N4S2.C15H8Br2F6S2.CH4/c1-31-45(25-49(66-31)41-21-37(35-11-7-15-62-27-35)19-39(23-41)43-17-33-9-3-5-13-47(33)64-29-43)51-52(54(58,59)55(60,61)53(51,56)57)46-26-50(67-32(46)2)42-22-38(36-12-8-16-63-28-36)20-40(24-42)44-18-34-10-4-6-14-48(34)65-30-44;1-5-7(3-9(16)24-5)11-12(8-4-10(17)25-6(8)2)14(20,21)15(22,23)13(11,18)19;/h3-30H,1-2H3;3-4H,1-2H3;1H4
• InChIKey: QGQRFUVSLVFHHL-UHFFFAOYSA-N
• XLogP: 24.56
• TPSA: 51.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1471.23
LogP ≤ 5	24.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane?

The IUPAC name of 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane (CID 163897151) is 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane.

What is the SMILES notation for 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane?

The canonical SMILES for 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane is C.Cc1sc(-c2cc(-c3cccnc3)cc(-c3cnc4ccccc4c3)c2)cc1C1=C(c2cc(-c3cc(-c4cccnc4)cc(-c4cnc5ccccc5c4)c3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(Br)cc1C1=C(c2cc(Br)sc2C)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane?

The InChIKey is QGQRFUVSLVFHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34F6N4S2.C15H8Br2F6S2.CH4/c1-31-45(25-49(66-31)41-21-37(35-11-7-15-62-27-35)19-39(23-41)43-17-33-9-3-5-13-47(33)64-29-43)51-52(54(58,59)55(60,61)53(51,56)57)46-26-50(67-32(46)2)42-22-38(36-12-8-16-63-28-36)20-40(24-42)44-18-34-10-4-6-14-48(34)65-30-44;1-5-7(3-9(16)24-5)11-12(8-4-10(17)25-6(8)2)14(20,21)15(22,23)13(11,18)19;/h3-30H,1-2H3;3-4H,1-2H3;1H4.

What are the key properties of 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane?

5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane has a molecular weight of 1471.23 g/mol, XLogP of 24.56, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene;3-[3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-pyridin-3-yl-5-quinolin-3-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]quinoline;methane is sourced from PubChem (CID 163897151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).