5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene

C299H149F99O13 — CID 157486629

IUPAC5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene
SMILESC/C=C/CCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C/C=C/CCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCOc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCOc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCOc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C35H17F13O2.C34H17F13O.C34H20F10O.C34H18F10O.C33H17F11O2.C33H15F11O.C33H18F10O.C32H13F11O2.C31H14F10O2/c1-2-3-4-5-18-10-24(36)22(25(37)11-18)8-6-19-12-26(38)23(27(39)13-19)9-7-20-14-28(40)32(29(41)15-20)34(44,45)49-21-16-30(42)33(31(43)17-21)50-35(46,47)48;1-2-3-4-17-9-23(35)21(24(36)10-17)7-5-18-11-25(37)22(26(38)12-18)8-6-19-13-27(39)32(28(40)14-19)34(46,47)48-20-15-29(41)31(30(42)16-20)33(43,44)45;2*1-2-3-4-5-19-6-9-22(25(35)12-19)10-7-20-13-26(36)24(27(37)14-20)11-8-21-15-28(38)32(29(39)16-21)34(43,44)45-23-17-30(40)33(42)31(41)18-23;1-2-3-8-45-19-13-25(36)22(26(37)14-19)7-4-17-9-23(34)21(24(35)10-17)6-5-18-11-27(38)31(28(39)12-18)33(43,44)46-20-15-29(40)32(42)30(41)16-20;1-2-3-4-17-9-23(34)21(24(35)10-17)7-5-18-11-25(36)22(26(37)12-18)8-6-19-13-27(38)31(28(39)14-19)33(43,44)45-20-15-29(40)32(42)30(41)16-20;1-2-3-4-18-5-8-21(24(34)11-18)9-6-19-12-25(35)23(26(36)13-19)10-7-20-14-27(37)31(28(38)15-20)33(42,43)44-22-16-29(39)32(41)30(40)17-22;1-2-7-44-18-12-24(35)21(25(36)13-18)6-3-16-8-22(33)20(23(34)9-16)5-4-17-10-26(37)30(27(38)11-17)32(42,43)45-19-14-28(39)31(41)29(40)15-19;1-2-42-19-7-6-18(22(32)13-19)5-3-16-9-23(33)21(24(34)10-16)8-4-17-11-25(35)29(26(36)12-17)31(40,41)43-20-14-27(37)30(39)28(38)15-20/h2-3,10-17H,4-5H2,1H3;9-16H,2-4H2,1H3;6,9,12-18H,2-5H2,1H3;2-3,6,9,12-18H,4-5H2,1H3;9-16H,2-3,8H2,1H3;2,9-16H,1,3-4H2;5,8,11-17H,2-4H2,1H3;2,8-15H,1,7H2;6-7,9-15H,2H2,1H3/b3-2+;;;3-2+;;;;;
InChIKeyBWUDUAAJQBIIRD-KUBGCJEFSA-N
MW5830.27 g/mol
LogP82.58
Rot. Bonds56

About 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene

5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene (PubChem CID 157486629) has the molecular formula C299H149F99O13 and a molecular weight of 5830.27 g/mol. Its IUPAC name is 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene
PubChem CID157486629
Molecular FormulaC299H149F99O13
Molecular Weight5830.27 g/mol
Exact Mass5826.94
IUPAC Name5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene
SMILESC/C=C/CCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C/C=C/CCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCOc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCOc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCOc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C35H17F13O2.C34H17F13O.C34H20F10O.C34H18F10O.C33H17F11O2.C33H15F11O.C33H18F10O.C32H13F11O2.C31H14F10O2/c1-2-3-4-5-18-10-24(36)22(25(37)11-18)8-6-19-12-26(38)23(27(39)13-19)9-7-20-14-28(40)32(29(41)15-20)34(44,45)49-21-16-30(42)33(31(43)17-21)50-35(46,47)48;1-2-3-4-17-9-23(35)21(24(36)10-17)7-5-18-11-25(37)22(26(38)12-18)8-6-19-13-27(39)32(28(40)14-19)34(46,47)48-20-15-29(41)31(30(42)16-20)33(43,44)45;2*1-2-3-4-5-19-6-9-22(25(35)12-19)10-7-20-13-26(36)24(27(37)14-20)11-8-21-15-28(38)32(29(39)16-21)34(43,44)45-23-17-30(40)33(42)31(41)18-23;1-2-3-8-45-19-13-25(36)22(26(37)14-19)7-4-17-9-23(34)21(24(35)10-17)6-5-18-11-27(38)31(28(39)12-18)33(43,44)46-20-15-29(40)32(42)30(41)16-20;1-2-3-4-17-9-23(34)21(24(35)10-17)7-5-18-11-25(36)22(26(37)12-18)8-6-19-13-27(38)31(28(39)14-19)33(43,44)45-20-15-29(40)32(42)30(41)16-20;1-2-3-4-18-5-8-21(24(34)11-18)9-6-19-12-25(35)23(26(36)13-19)10-7-20-14-27(37)31(28(38)15-20)33(42,43)44-22-16-29(39)32(41)30(40)17-22;1-2-7-44-18-12-24(35)21(25(36)13-18)6-3-16-8-22(33)20(23(34)9-16)5-4-17-10-26(37)30(27(38)11-17)32(42,43)45-19-14-28(39)31(41)29(40)15-19;1-2-42-19-7-6-18(22(32)13-19)5-3-16-9-23(33)21(24(34)10-16)8-4-17-11-25(35)29(26(36)12-17)31(40,41)43-20-14-27(37)30(39)28(38)15-20/h2-3,10-17H,4-5H2,1H3;9-16H,2-4H2,1H3;6,9,12-18H,2-5H2,1H3;2-3,6,9,12-18H,4-5H2,1H3;9-16H,2-3,8H2,1H3;2,9-16H,1,3-4H2;5,8,11-17H,2-4H2,1H3;2,8-15H,1,7H2;6-7,9-15H,2H2,1H3/b3-2+;;;3-2+;;;;;
InChIKeyBWUDUAAJQBIIRD-KUBGCJEFSA-N
XLogP82.58
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds56
Heavy Atoms411
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005830.27
LogP ≤ 582.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene with MolForge

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Related Compounds

5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene
CID 159539352
2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene
CID 129036323
2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]ethynyl]-1,3-difluoro-5-pentylbenzene
CID 129036965
5-butoxy-2-[[4-[2-[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenyl]ethynyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 129037576
5-butoxy-2-[[4-[2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 129036449
2-[[4-[2-[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenyl]ethynyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-prop-2-enoxybenzene
CID 129036450
5-[2-(4-but-3-enyl-2-fluorophenyl)ethynyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 129037327
5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 129036823
2-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 129036736
5-but-3-enyl-2-[[4-[2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3-fluorophenyl]ethynyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 129037578
5-[2-[4-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-fluorophenyl]ethynyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 129036882
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene
CID 129036603

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene?
The IUPAC name of 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene (CID 157486629) is 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene?
The canonical SMILES for 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene is C/C=C/CCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C/C=C/CCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCOc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCOc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1cc(F)c(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCOc1ccc(C#Cc2cc(F)c(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene?
The InChIKey is BWUDUAAJQBIIRD-KUBGCJEFSA-N. The full InChI is InChI=1S/C35H17F13O2.C34H17F13O.C34H20F10O.C34H18F10O.C33H17F11O2.C33H15F11O.C33H18F10O.C32H13F11O2.C31H14F10O2/c1-2-3-4-5-18-10-24(36)22(25(37)11-18)8-6-19-12-26(38)23(27(39)13-19)9-7-20-14-28(40)32(29(41)15-20)34(44,45)49-21-16-30(42)33(31(43)17-21)50-35(46,47)48;1-2-3-4-17-9-23(35)21(24(36)10-17)7-5-18-11-25(37)22(26(38)12-18)8-6-19-13-27(39)32(28(40)14-19)34(46,47)48-20-15-29(41)31(30(42)16-20)33(43,44)45;2*1-2-3-4-5-19-6-9-22(25(35)12-19)10-7-20-13-26(36)24(27(37)14-20)11-8-21-15-28(38)32(29(39)16-21)34(43,44)45-23-17-30(40)33(42)31(41)18-23;1-2-3-8-45-19-13-25(36)22(26(37)14-19)7-4-17-9-23(34)21(24(35)10-17)6-5-18-11-27(38)31(28(39)12-18)33(43,44)46-20-15-29(40)32(42)30(41)16-20;1-2-3-4-17-9-23(34)21(24(35)10-17)7-5-18-11-25(36)22(26(37)12-18)8-6-19-13-27(38)31(28(39)14-19)33(43,44)45-20-15-29(40)32(42)30(41)16-20;1-2-3-4-18-5-8-21(24(34)11-18)9-6-19-12-25(35)23(26(36)13-19)10-7-20-14-27(37)31(28(38)15-20)33(42,43)44-22-16-29(39)32(41)30(40)17-22;1-2-7-44-18-12-24(35)21(25(36)13-18)6-3-16-8-22(33)20(23(34)9-16)5-4-17-10-26(37)30(27(38)11-17)32(42,43)45-19-14-28(39)31(41)29(40)15-19;1-2-42-19-7-6-18(22(32)13-19)5-3-16-9-23(33)21(24(34)10-16)8-4-17-11-25(35)29(26(36)12-17)31(40,41)43-20-14-27(37)30(39)28(38)15-20/h2-3,10-17H,4-5H2,1H3;9-16H,2-4H2,1H3;6,9,12-18H,2-5H2,1H3;2-3,6,9,12-18H,4-5H2,1H3;9-16H,2-3,8H2,1H3;2,9-16H,1,3-4H2;5,8,11-17H,2-4H2,1H3;2,8-15H,1,7H2;6-7,9-15H,2H2,1H3/b3-2+;;;3-2+;;;;;.
What are the key properties of 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene?
5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene has a molecular weight of 5830.27 g/mol, XLogP of 82.58, 56 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butyl-2-fluorophenyl)ethynyl]-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[(E)-pent-3-enyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene;2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-1,3-difluoro-5-prop-2-enoxybenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[2-[4-[2-(4-ethoxy-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-1,3-difluorobenzene is sourced from PubChem (CID 157486629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).