1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene

C116H94F24N2O9S6 — CID 160553300

IUPAC1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene
SMILESCCn1c(-c2ccc(OC)cc2)cc(C)c1C1=C(c2c(C)cc(-c3ccc(OC)cc3)n2CC)C(F)(F)C(F)(F)C1(F)F.COc1ccc(-c2cc(C)c(C3=C(c4oc(-c5ccc(OC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)o2)cc1.COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(C)s5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1.COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(OC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1
InChIInChI=1S/C33H32F6N2O2.C29H22F6O4.C29H22F6O2S2.C25H18F6OS4/c1-7-40-25(21-9-13-23(42-5)14-10-21)17-19(3)29(40)27-28(32(36,37)33(38,39)31(27,34)35)30-20(4)18-26(41(30)8-2)22-11-15-24(43-6)16-12-22;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;1-11-9-16(14-6-5-13(3)33-14)35-21(11)19-20(24(28,29)25(30,31)23(19,26)27)22-12(2)10-17(36-22)15-7-8-18(32-4)34-15/h9-18H,7-8H2,1-6H3;2*5-14H,1-4H3;5-10H,1-4H3
InChIKeyQYIXHSUEYJUYSJ-UHFFFAOYSA-N
MW2308.39 g/mol
LogP37.44
Rot. Bonds25

About 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene

1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene (PubChem CID 160553300) has the molecular formula C116H94F24N2O9S6 and a molecular weight of 2308.39 g/mol. Its IUPAC name is 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene
PubChem CID160553300
Molecular FormulaC116H94F24N2O9S6
Molecular Weight2308.39 g/mol
Exact Mass2306.49
IUPAC Name1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene
SMILESCCn1c(-c2ccc(OC)cc2)cc(C)c1C1=C(c2c(C)cc(-c3ccc(OC)cc3)n2CC)C(F)(F)C(F)(F)C1(F)F.COc1ccc(-c2cc(C)c(C3=C(c4oc(-c5ccc(OC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)o2)cc1.COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(C)s5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1.COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(OC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1
InChIInChI=1S/C33H32F6N2O2.C29H22F6O4.C29H22F6O2S2.C25H18F6OS4/c1-7-40-25(21-9-13-23(42-5)14-10-21)17-19(3)29(40)27-28(32(36,37)33(38,39)31(27,34)35)30-20(4)18-26(41(30)8-2)22-11-15-24(43-6)16-12-22;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;1-11-9-16(14-6-5-13(3)33-14)35-21(11)19-20(24(28,29)25(30,31)23(19,26)27)22-12(2)10-17(36-22)15-7-8-18(32-4)34-15/h9-18H,7-8H2,1-6H3;2*5-14H,1-4H3;5-10H,1-4H3
InChIKeyQYIXHSUEYJUYSJ-UHFFFAOYSA-N
XLogP37.44
TPSA100.75 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002308.39
LogP ≤ 537.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene with MolForge

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Related Compounds

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
5-[5-[5-[9-Ethyl-6-(4-hexoxyphenyl)carbazol-3-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;5-[5-[5-[5-[9-ethyl-6-(4-hexoxyphenyl)carbazol-3-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde
CID 157772285
1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene
CID 158175421
1-[4-(4-Ethenyl-3,5-dimethylphenyl)butyl]-4-[3-(4-ethenyl-3,5-dimethylphenyl)propoxy]-2,5-dimethylbenzene;1-ethenyl-4-[3-[4-[4-(4-ethenyl-2,5-dimethylphenyl)butyl]-2,5-dimethylphenoxy]propyl]-2,5-dimethylbenzene;2-ethenyl-5-[3-[4-[4-(5-ethenylfuran-2-yl)butyl]-2,5-dimethylphenoxy]propyl]furan;2-ethenyl-5-[4-(5-ethenyl-1-phenylpyrrol-2-yl)-2,5-dimethylphenyl]-1-phenylpyrrole;2-ethenyl-5-[4-(5-ethenylthiophen-2-yl)-2,5-dimethylphenyl]thiophene;1-[4-(4-ethenyl-3-fluorophenyl)butyl]-4-[3-(4-ethenyl-3-fluorophenyl)propoxy]-2,5-dimethylbenzene;1-[4-(4-ethenylphenyl)butyl]-4-[3-(4-ethenylphenyl)propoxy]-2,5-dimethylbenzene
CID 158206252
CID 158299647
CID 158299647
1-Methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran
CID 159874105
CID 160536188
CID 160536188
1-[6-cyclohex-2-en-1-yl-4-methyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrol-2-yl]ethanone;1-[6-cyclohex-2-en-1-yl-5-(4-phenylmethoxyphenyl)-4H-cyclopenta[b]thiophen-2-yl]ethanone
CID 160719284
1,4-Bis(4-ethenyl-3-fluorophenyl)-2,5-dimethylbenzene;1,4-bis[(4-ethenyl-3-fluorophenyl)methyl]-2,5-dimethylbenzene;1,4-bis(4-ethenylphenyl)-2,5-dimethylbenzene;1-(4-ethenyl-3,5-dimethylphenyl)-4-(4-ethenylphenyl)-2,5-dimethylbenzene;1-[(4-ethenyl-3,5-dimethylphenyl)methyl]-4-[(4-ethenylphenyl)methyl]-2,5-dimethylbenzene;2-ethenyl-5-[[4-[(5-ethenylfuran-2-yl)methyl]-2,5-dimethylphenyl]methyl]furan;1-ethenyl-4-[4-(4-ethenylphenyl)-2,5-dimethylphenyl]-2,5-dimethylbenzene;2-ethenyl-5-[[4-[(5-ethenyl-1-phenylpyrrol-2-yl)methyl]-2,5-dimethylphenyl]methyl]-1-phenylpyrrole;2-ethenyl-5-[[4-[(5-ethenylthiophen-2-yl)methyl]-2,5-dimethylphenyl]methyl]thiophene
CID 160761370
5-[5-[5-[9-Ethyl-6-(4-hexoxyphenyl)carbazol-3-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde
CID 161789128
1-[6-Cyclohex-2-en-1-yl-4-methyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrol-2-yl]ethanone;1-[6-cyclohexyl-4-methyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrol-2-yl]ethanone
CID 162138124
2-decoxy-5-[5-[4-[2-[4-[5-(5-decoxythiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;1-ethyl-2-[5-[5-[4-[2-[4-[5-[5-(1-ethylpyrrol-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]ethynyl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]pyrrole;2-hexadecyl-5-[5-[5-[4-[(E)-2-[4-[5-[5-(5-hexadecylfuran-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]furan;3-methyl-5-[5-[4-[(E)-2-[4-[5-(4-methyl-5-octylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]-2-octylthiophene;2-(2-octoxyethyl)-5-[5-[4-[(E)-2-[4-[5-[5-(2-octoxyethyl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene
CID 162211409

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene?
The IUPAC name of 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene (CID 160553300) is 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene?
The canonical SMILES for 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene is CCn1c(-c2ccc(OC)cc2)cc(C)c1C1=C(c2c(C)cc(-c3ccc(OC)cc3)n2CC)C(F)(F)C(F)(F)C1(F)F.COc1ccc(-c2cc(C)c(C3=C(c4oc(-c5ccc(OC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)o2)cc1.COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(C)s5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1.COc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(OC)cc5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1.
What is the InChIKey of 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene?
The InChIKey is QYIXHSUEYJUYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F6N2O2.C29H22F6O4.C29H22F6O2S2.C25H18F6OS4/c1-7-40-25(21-9-13-23(42-5)14-10-21)17-19(3)29(40)27-28(32(36,37)33(38,39)31(27,34)35)30-20(4)18-26(41(30)8-2)22-11-15-24(43-6)16-12-22;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;1-11-9-16(14-6-5-13(3)33-14)35-21(11)19-20(24(28,29)25(30,31)23(19,26)27)22-12(2)10-17(36-22)15-7-8-18(32-4)34-15/h9-18H,7-8H2,1-6H3;2*5-14H,1-4H3;5-10H,1-4H3.
What are the key properties of 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene?
1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene has a molecular weight of 2308.39 g/mol, XLogP of 37.44, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[1-ethyl-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylpyrrole;2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylfuran-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylfuran;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-[5-(5-methoxythiophen-2-yl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 160553300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).