5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine

C240H139F74N9O10 — CID 157274586

IUPAC5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine
SMILESC=CCCc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCOc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C31H19F11N2O2.C31H16F11NO.C31H20F9NO.C31H20F8O.C30H18F8O.C29H17F9N2O.C29H15F9N2O.C28H14F9NO2/c1-2-3-4-5-17-14-43-26(44-15-17)7-6-16-8-20(32)27(21(33)9-16)18-10-22(34)28(23(35)11-18)30(38,39)45-19-12-24(36)29(25(37)13-19)46-31(40,41)42;1-2-3-4-16-5-7-19(43-15-16)8-6-17-9-21(32)27(22(33)10-17)18-11-23(34)29(24(35)12-18)31(41,42)44-20-13-25(36)28(26(37)14-20)30(38,39)40;1-2-3-4-5-17-6-8-20(41-16-17)9-7-18-10-22(32)28(23(33)11-18)19-12-24(34)29(25(35)13-19)31(39,40)42-21-14-26(36)30(38)27(37)15-21;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(24(32)13-20)21-14-25(33)29(26(34)15-21)31(38,39)40-22-16-27(35)30(37)28(36)17-22;1-2-3-17-4-6-18(7-5-17)8-9-19-10-11-22(23(31)12-19)20-13-24(32)28(25(33)14-20)30(37,38)39-21-15-26(34)29(36)27(35)16-21;2*1-2-3-4-16-13-39-25(40-14-16)6-5-15-7-19(30)26(20(31)8-15)17-9-21(32)27(22(33)10-17)29(37,38)41-18-11-23(34)28(36)24(35)12-18;1-2-39-17-6-5-16(38-13-17)4-3-14-7-19(29)25(20(30)8-14)15-9-21(31)26(22(32)10-15)28(36,37)40-18-11-23(33)27(35)24(34)12-18/h8-15H,2-5H2,1H3;2,5,7,9-15H,1,3-4H2;6,8,10-16H,2-5H2,1H3;5-8,11-17H,2-4H2,1H3;4-7,10-16H,2-3H2,1H3;7-14H,2-4H2,1H3;2,7-14H,1,3-4H2;5-13H,2H2,1H3
InChIKeyAYYDSOJNFDWNSP-UHFFFAOYSA-N
MW4714.66 g/mol
LogP68.50
Rot. Bonds57

About 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine

5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine (PubChem CID 157274586) has the molecular formula C240H139F74N9O10 and a molecular weight of 4714.66 g/mol. Its IUPAC name is 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine.

Molecular Properties

Compound Name5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine
PubChem CID157274586
Molecular FormulaC240H139F74N9O10
Molecular Weight4714.66 g/mol
Exact Mass4711.95
IUPAC Name5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine
SMILESC=CCCc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCOc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C31H19F11N2O2.C31H16F11NO.C31H20F9NO.C31H20F8O.C30H18F8O.C29H17F9N2O.C29H15F9N2O.C28H14F9NO2/c1-2-3-4-5-17-14-43-26(44-15-17)7-6-16-8-20(32)27(21(33)9-16)18-10-22(34)28(23(35)11-18)30(38,39)45-19-12-24(36)29(25(37)13-19)46-31(40,41)42;1-2-3-4-16-5-7-19(43-15-16)8-6-17-9-21(32)27(22(33)10-17)18-11-23(34)29(24(35)12-18)31(41,42)44-20-13-25(36)28(26(37)14-20)30(38,39)40;1-2-3-4-5-17-6-8-20(41-16-17)9-7-18-10-22(32)28(23(33)11-18)19-12-24(34)29(25(35)13-19)31(39,40)42-21-14-26(36)30(38)27(37)15-21;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(24(32)13-20)21-14-25(33)29(26(34)15-21)31(38,39)40-22-16-27(35)30(37)28(36)17-22;1-2-3-17-4-6-18(7-5-17)8-9-19-10-11-22(23(31)12-19)20-13-24(32)28(25(33)14-20)30(37,38)39-21-15-26(34)29(36)27(35)16-21;2*1-2-3-4-16-13-39-25(40-14-16)6-5-15-7-19(30)26(20(31)8-15)17-9-21(32)27(22(33)10-17)29(37,38)41-18-11-23(34)28(36)24(35)12-18;1-2-39-17-6-5-16(38-13-17)4-3-14-7-19(29)25(20(30)8-14)15-9-21(31)26(22(32)10-15)28(36,37)40-18-11-23(33)27(35)24(34)12-18/h8-15H,2-5H2,1H3;2,5,7,9-15H,1,3-4H2;6,8,10-16H,2-5H2,1H3;5-8,11-17H,2-4H2,1H3;4-7,10-16H,2-3H2,1H3;7-14H,2-4H2,1H3;2,7-14H,1,3-4H2;5-13H,2H2,1H3
InChIKeyAYYDSOJNFDWNSP-UHFFFAOYSA-N
XLogP68.50
TPSA208.31 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds57
Heavy Atoms333
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004714.66
LogP ≤ 568.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[2-(4-pentylphenyl)ethynyl]benzene
CID 129037014
5-[2-(4-butylphenyl)ethynyl]-2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluorobenzene
CID 129037017
5-butyl-2-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]pyridine
CID 129036375
5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-hexylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene
CID 159900691
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2,6-difluoro-4-(4-heptylphenyl)phenyl]-1,3-difluorobenzene
CID 59328905
5-(4-butyl-2-fluorophenyl)-2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene
CID 160935986
2-[2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine
CID 129036968
2-[4-[[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyrimidine
CID 58383539
2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene
CID 59329628
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(4-pentylphenyl)phenyl]benzene
CID 59329629
5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 59329007

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine?
The IUPAC name of 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine (CID 157274586) is 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine.
What is the SMILES notation for 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine?
The canonical SMILES for 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine is C=CCCc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCOc1ccc(C#Cc2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine?
The InChIKey is AYYDSOJNFDWNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F11N2O2.C31H16F11NO.C31H20F9NO.C31H20F8O.C30H18F8O.C29H17F9N2O.C29H15F9N2O.C28H14F9NO2/c1-2-3-4-5-17-14-43-26(44-15-17)7-6-16-8-20(32)27(21(33)9-16)18-10-22(34)28(23(35)11-18)30(38,39)45-19-12-24(36)29(25(37)13-19)46-31(40,41)42;1-2-3-4-16-5-7-19(43-15-16)8-6-17-9-21(32)27(22(33)10-17)18-11-23(34)29(24(35)12-18)31(41,42)44-20-13-25(36)28(26(37)14-20)30(38,39)40;1-2-3-4-5-17-6-8-20(41-16-17)9-7-18-10-22(32)28(23(33)11-18)19-12-24(34)29(25(35)13-19)31(39,40)42-21-14-26(36)30(38)27(37)15-21;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(24(32)13-20)21-14-25(33)29(26(34)15-21)31(38,39)40-22-16-27(35)30(37)28(36)17-22;1-2-3-17-4-6-18(7-5-17)8-9-19-10-11-22(23(31)12-19)20-13-24(32)28(25(33)14-20)30(37,38)39-21-15-26(34)29(36)27(35)16-21;2*1-2-3-4-16-13-39-25(40-14-16)6-5-15-7-19(30)26(20(31)8-15)17-9-21(32)27(22(33)10-17)29(37,38)41-18-11-23(34)28(36)24(35)12-18;1-2-39-17-6-5-16(38-13-17)4-3-14-7-19(29)25(20(30)8-14)15-9-21(31)26(22(32)10-15)28(36,37)40-18-11-23(33)27(35)24(34)12-18/h8-15H,2-5H2,1H3;2,5,7,9-15H,1,3-4H2;6,8,10-16H,2-5H2,1H3;5-8,11-17H,2-4H2,1H3;4-7,10-16H,2-3H2,1H3;7-14H,2-4H2,1H3;2,7-14H,1,3-4H2;5-13H,2H2,1H3.
What are the key properties of 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine?
5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine has a molecular weight of 4714.66 g/mol, XLogP of 68.50, 57 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-butyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyrimidine;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-ethoxypyridine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethynyl]-5-pentylpyridine is sourced from PubChem (CID 157274586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).