1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline

C173H106F18N12S6 — CID 157202562

About 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline

1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline (PubChem CID 157202562) has the molecular formula C173H106F18N12S6 and a molecular weight of 2887.20 g/mol. Its IUPAC name is 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline.

Molecular Properties

• Compound Name: 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline
• PubChem CID: 157202562
• Molecular Formula: C173H106F18N12S6
• Molecular Weight: 2887.20 g/mol
• Exact Mass: 2884.67
• IUPAC Name: 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline
• SMILES: Cc1sc(-c2cc(-c3ccc4ccccc4n3)cc(-c3ccc4ccccc4n3)c2)cc1C1=C(c2cc(-c3cc(-c4ccc5ccccc5n4)cc(-c4ccc5ccccc5n4)c3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)cc1C1=C(c2cc(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2cc(-c3nccc4ccccc34)cc(-c3nccc4ccccc34)c2)cc1C1=C(c2cc(-c3cc(-c4nccc5ccccc45)cc(-c4nccc5ccccc45)c3)sc2C)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/2C63H38F6N4S2.C47H30F6N4S2/c1-35-47(33-57(74-35)45-29-41(53-23-19-37-11-3-7-15-49(37)70-53)27-42(30-45)54-24-20-38-12-4-8-16-50(38)71-54)59-60(62(66,67)63(68,69)61(59,64)65)48-34-58(75-36(48)2)46-31-43(55-25-21-39-13-5-9-17-51(39)72-55)28-44(32-46)56-26-22-40-14-6-10-18-52(40)73-56;1-35-51(33-53(74-35)41-27-43(57-47-15-7-3-11-37(47)19-23-70-57)31-44(28-41)58-48-16-8-4-12-38(48)20-24-71-58)55-56(62(66,67)63(68,69)61(55,64)65)52-34-54(75-36(52)2)42-29-45(59-49-17-9-5-13-39(49)21-25-72-59)32-46(30-42)60-50-18-10-6-14-40(50)22-26-73-60;1-27-39(21-41(58-27)37-17-33(29-7-3-11-54-23-29)15-34(18-37)30-8-4-12-55-24-30)43-44(46(50,51)47(52,53)45(43,48)49)40-22-42(59-28(40)2)38-19-35(31-9-5-13-56-25-31)16-36(20-38)32-10-6-14-57-26-32/h2*3-34H,1-2H3;3-26H,1-2H3
• InChIKey: AQYVACOSTJVXAT-UHFFFAOYSA-N
• XLogP: 50.74
• TPSA: 154.68 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2887.20
LogP ≤ 5	50.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline?

The IUPAC name of 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline (CID 157202562) is 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline.

What is the SMILES notation for 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline?

The canonical SMILES for 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline is Cc1sc(-c2cc(-c3ccc4ccccc4n3)cc(-c3ccc4ccccc4n3)c2)cc1C1=C(c2cc(-c3cc(-c4ccc5ccccc5n4)cc(-c4ccc5ccccc5n4)c3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)cc1C1=C(c2cc(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2cc(-c3nccc4ccccc34)cc(-c3nccc4ccccc34)c2)cc1C1=C(c2cc(-c3cc(-c4nccc5ccccc45)cc(-c4nccc5ccccc45)c3)sc2C)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline?

The InChIKey is AQYVACOSTJVXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H38F6N4S2.C47H30F6N4S2/c1-35-47(33-57(74-35)45-29-41(53-23-19-37-11-3-7-15-49(37)70-53)27-42(30-45)54-24-20-38-12-4-8-16-50(38)71-54)59-60(62(66,67)63(68,69)61(59,64)65)48-34-58(75-36(48)2)46-31-43(55-25-21-39-13-5-9-17-51(39)72-55)28-44(32-46)56-26-22-40-14-6-10-18-52(40)73-56;1-35-51(33-53(74-35)41-27-43(57-47-15-7-3-11-37(47)19-23-70-57)31-44(28-41)58-48-16-8-4-12-38(48)20-24-71-58)55-56(62(66,67)63(68,69)61(55,64)65)52-34-54(75-36(52)2)42-29-45(59-49-17-9-5-13-39(49)21-25-72-59)32-46(30-42)60-50-18-10-6-14-40(50)22-26-73-60;1-27-39(21-41(58-27)37-17-33(29-7-3-11-54-23-29)15-34(18-37)30-8-4-12-55-24-30)43-44(46(50,51)47(52,53)45(43,48)49)40-22-42(59-28(40)2)38-19-35(31-9-5-13-56-25-31)16-36(20-38)32-10-6-14-57-26-32/h2*3-34H,1-2H3;3-26H,1-2H3.

What are the key properties of 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline?

1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline has a molecular weight of 2887.20 g/mol, XLogP of 50.74, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[2-[5-[3,5-di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline is sourced from PubChem (CID 157202562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).