2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline

C63H40F12N2OS4 — CID 91163099

About 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline

2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline (PubChem CID 91163099) has the molecular formula C63H40F12N2OS4 and a molecular weight of 1197.27 g/mol. Its IUPAC name is 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline.

Molecular Properties

• Compound Name: 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline
• PubChem CID: 91163099
• Molecular Formula: C63H40F12N2OS4
• Molecular Weight: 1197.27 g/mol
• Exact Mass: 1196.18
• IUPAC Name: 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline
• SMILES: COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(-c6ccccc6)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1.Cc1c(C2=C(c3sc4cc5ncccc5cc4c3C)C(F)(F)C(F)(F)C2(F)F)sc2cc3ncccc3cc12
• InChI: InChI=1S/C34H24F6OS2.C29H16F6N2S2/c1-19-17-26(23-11-9-22(10-12-23)21-7-5-4-6-8-21)42-30(19)28-29(33(37,38)34(39,40)32(28,35)36)31-20(2)18-27(43-31)24-13-15-25(41-3)16-14-24;1-13-17-9-15-5-3-7-36-19(15)11-21(17)38-25(13)23-24(28(32,33)29(34,35)27(23,30)31)26-14(2)18-10-16-6-4-8-37-20(16)12-22(18)39-26/h4-18H,1-3H3;3-12H,1-2H3
• InChIKey: RKCBALDUMHMJNQ-UHFFFAOYSA-N
• XLogP: 20.93
• TPSA: 35.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.27
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline?

The IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline (CID 91163099) is 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline.

What is the SMILES notation for 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline?

The canonical SMILES for 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline is COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(-c6ccccc6)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1.Cc1c(C2=C(c3sc4cc5ncccc5cc4c3C)C(F)(F)C(F)(F)C2(F)F)sc2cc3ncccc3cc12.

What is the InChIKey of 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline?

The InChIKey is RKCBALDUMHMJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F6OS2.C29H16F6N2S2/c1-19-17-26(23-11-9-22(10-12-23)21-7-5-4-6-8-21)42-30(19)28-29(33(37,38)34(39,40)32(28,35)36)31-20(2)18-27(43-31)24-13-15-25(41-3)16-14-24;1-13-17-9-15-5-3-7-36-19(15)11-21(17)38-25(13)23-24(28(32,33)29(34,35)27(23,30)31)26-14(2)18-10-16-6-4-8-37-20(16)12-22(18)39-26/h4-18H,1-3H3;3-12H,1-2H3.

What are the key properties of 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline?

2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline has a molecular weight of 1197.27 g/mol, XLogP of 20.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(4-phenylphenyl)thiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline is sourced from PubChem (CID 91163099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).