2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen

C118H94F24N2O6S6Se2 — CID 160930256

About 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen

2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen (PubChem CID 160930256) has the molecular formula C118H94F24N2O6S6Se2 and a molecular weight of 2442.33 g/mol. Its IUPAC name is 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen
• PubChem CID: 160930256
• Molecular Formula: C118H94F24N2O6S6Se2
• Molecular Weight: 2442.33 g/mol
• Exact Mass: 2442.34
• IUPAC Name: 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen
• SMILES: C#COc1ccc(-c2cc(C)c(C3=C(c4[se]c(-c5ccc(OCC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)[se]2)cc1.C=CCn1c(-c2ccc(OC)cc2)cc(C)c1C1=C(c2c(C)cc(-c3ccc(OC)cc3)n2CC=C)C(F)(F)C(F)(F)C1(F)F.COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(OC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1.Cc1cc(-c2cccs2)sc1C1=C(c2sc(-c3cccs3)cc2C)C(F)(F)C(F)(F)C1(F)F.[H][H].[H][H]
• InChI: InChI=1S/C35H32F6N2O2.C31H22F6O2Se2.C29H22F6O2S2.C23H14F6S4.2H2/c1-7-17-42-27(23-9-13-25(44-5)14-10-23)19-21(3)31(42)29-30(34(38,39)35(40,41)33(29,36)37)32-22(4)20-28(43(32)18-8-2)24-11-15-26(45-6)16-12-24;1-5-38-21-11-7-19(8-12-21)23-15-17(3)27(40-23)25-26(30(34,35)31(36,37)29(25,32)33)28-18(4)16-24(41-28)20-9-13-22(14-10-20)39-6-2;1-15-13-21(17-5-9-19(36-3)10-6-17)38-25(15)23-24(28(32,33)29(34,35)27(23,30)31)26-16(2)14-22(39-26)18-7-11-20(37-4)12-8-18;1-11-9-15(13-5-3-7-30-13)32-19(11)17-18(22(26,27)23(28,29)21(17,24)25)20-12(2)10-16(33-20)14-6-4-8-31-14;;/h7-16,19-20H,1-2,17-18H2,3-6H3;1,7-16H,6H2,2-4H3;5-14H,1-4H3;3-10H,1-2H3;2*1H
• InChIKey: STEBEEPREQHYMH-UHFFFAOYSA-N
• XLogP: 37.22
• TPSA: 65.24 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.33
LogP ≤ 5	37.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen?

The IUPAC name of 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen (CID 160930256) is 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen.

What is the SMILES notation for 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen?

The canonical SMILES for 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen is C#COc1ccc(-c2cc(C)c(C3=C(c4[se]c(-c5ccc(OCC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)[se]2)cc1.C=CCn1c(-c2ccc(OC)cc2)cc(C)c1C1=C(c2c(C)cc(-c3ccc(OC)cc3)n2CC=C)C(F)(F)C(F)(F)C1(F)F.COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(OC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1.Cc1cc(-c2cccs2)sc1C1=C(c2sc(-c3cccs3)cc2C)C(F)(F)C(F)(F)C1(F)F.[H][H].[H][H].

What is the InChIKey of 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen?

The InChIKey is STEBEEPREQHYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F6N2O2.C31H22F6O2Se2.C29H22F6O2S2.C23H14F6S4.2H2/c1-7-17-42-27(23-9-13-25(44-5)14-10-23)19-21(3)31(42)29-30(34(38,39)35(40,41)33(29,36)37)32-22(4)20-28(43(32)18-8-2)24-11-15-26(45-6)16-12-24;1-5-38-21-11-7-19(8-12-21)23-15-17(3)27(40-23)25-26(30(34,35)31(36,37)29(25,32)33)28-18(4)16-24(41-28)20-9-13-22(14-10-20)39-6-2;1-15-13-21(17-5-9-19(36-3)10-6-17)38-25(15)23-24(28(32,33)29(34,35)27(23,30)31)26-16(2)14-22(39-26)18-7-11-20(37-4)12-8-18;1-11-9-15(13-5-3-7-30-13)32-19(11)17-18(22(26,27)23(28,29)21(17,24)25)20-12(2)10-16(33-20)14-6-4-8-31-14;;/h7-16,19-20H,1-2,17-18H2,3-6H3;1,7-16H,6H2,2-4H3;5-14H,1-4H3;3-10H,1-2H3;2*1H.

What are the key properties of 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen?

2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen has a molecular weight of 2442.33 g/mol, XLogP of 37.22, 27 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-(4-ethoxyphenyl)-3-methylselenophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-ethynoxyphenyl)-3-methylselenophene;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrol-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene;2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-thiophen-2-ylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-thiophen-2-ylthiophene;molecular hydrogen is sourced from PubChem (CID 160930256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).