5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene

C411H273F95N16 — CID 158661250

IUPAC5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene
SMILESCCC1CCC(c2cc(F)c(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)CC1.CCC1CCC(c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)CC1.CCC1CCC(c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)CC1.CCCCC1CCC(C2CCC(c3ccc(C#Cc4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)CC2)CC1.CCCc1ccc(-c2cnc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)nc2)cc1.CCCc1cnc(-c2cc(F)c(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCc1ccc(-c2ccc(-c3cnc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)nc3)c(F)c2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1
InChIInChI=1S/C33H34F6.C31H22F8.C31H23F7.C31H17F7.C31H24F6.C31H18F6.C28H15F9N2.C28H16F8N2.2C28H17F7N2.3C28H18F6N2.C27H16F6N2/c1-2-3-4-22-5-8-24(9-6-22)25-11-13-26(14-12-25)28-16-15-27(30(34)21-28)10-7-23-19-31(35)29(32(36)20-23)17-18-33(37,38)39;1-2-18-3-7-20(8-4-18)21-14-27(33)24(28(34)15-21)10-6-19-5-9-23(26(32)13-19)22-16-29(35)25(30(36)17-22)11-12-31(37,38)39;2*1-2-19-3-7-21(8-4-19)23-11-10-22(27(32)16-23)9-5-20-6-12-25(28(33)15-20)24-17-29(34)26(30(35)18-24)13-14-31(36,37)38;2*1-2-20-5-10-23(11-6-20)24-12-7-21(8-13-24)3-4-22-9-14-26(28(32)17-22)25-18-29(33)27(30(34)19-25)15-16-31(35,36)37;1-2-3-14-12-38-27(39-13-14)17-10-23(33)26(24(34)11-17)16-8-21(31)25(22(32)9-16)15-6-19(29)18(20(30)7-15)4-5-28(35,36)37;1-2-3-15-13-37-27(38-14-15)16-4-5-19(21(29)8-16)17-9-24(32)26(25(33)10-17)18-11-22(30)20(23(31)12-18)6-7-28(34,35)36;1-2-3-16-14-36-27(37-15-16)18-5-7-20(24(30)11-18)17-4-6-21(23(29)10-17)19-12-25(31)22(26(32)13-19)8-9-28(33,34)35;1-2-3-16-14-36-27(37-15-16)18-6-4-17(5-7-18)19-10-24(31)26(25(32)11-19)20-12-22(29)21(23(30)13-20)8-9-28(33,34)35;2*1-2-3-17-15-35-27(36-16-17)19-6-4-18(5-7-19)20-8-9-22(24(29)12-20)21-13-25(30)23(26(31)14-21)10-11-28(32,33)34;1-2-3-17-4-6-18(7-5-17)21-15-35-27(36-16-21)19-8-9-22(24(29)12-19)20-13-25(30)23(26(31)14-20)10-11-28(32,33)34;1-2-16-3-5-17(6-4-16)18-7-8-21(23(28)11-18)20-14-34-26(35-15-20)19-12-24(29)22(25(30)13-19)9-10-27(31,32)33/h15-16,19-22,24-26H,2-6,8-9,11-14H2,1H3;5,9,13-18,20H,2-4,7-8H2,1H3;6,10-12,15-19,21H,2-4,7-8H2,1H3;3-4,6-8,10-12,15-18H,2H2,1H3;7-9,12-14,17-20,23H,2,5-6,10-11H2,1H3;5-14,17-19H,2H2,1H3;6-13H,2-3H2,1H3;4-5,8-14H,2-3H2,1H3;2*4-7,10-15H,2-3H2,1H3;3*4-9,12-16H,2-3H2,1H3;3-8,11-15H,2H2,1H3
InChIKeyICUCCGUIGADPOG-UHFFFAOYSA-N
MW7240.63 g/mol
LogP115.85
Rot. Bonds59

About 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene

5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene (PubChem CID 158661250) has the molecular formula C411H273F95N16 and a molecular weight of 7240.63 g/mol. Its IUPAC name is 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene.

Molecular Properties

Compound Name5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene
PubChem CID158661250
Molecular FormulaC411H273F95N16
Molecular Weight7240.63 g/mol
Exact Mass7236.03
IUPAC Name5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene
SMILESCCC1CCC(c2cc(F)c(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)CC1.CCC1CCC(c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)CC1.CCC1CCC(c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)CC1.CCCCC1CCC(C2CCC(c3ccc(C#Cc4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)CC2)CC1.CCCc1ccc(-c2cnc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)nc2)cc1.CCCc1cnc(-c2cc(F)c(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCc1ccc(-c2ccc(-c3cnc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)nc3)c(F)c2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1
InChIInChI=1S/C33H34F6.C31H22F8.C31H23F7.C31H17F7.C31H24F6.C31H18F6.C28H15F9N2.C28H16F8N2.2C28H17F7N2.3C28H18F6N2.C27H16F6N2/c1-2-3-4-22-5-8-24(9-6-22)25-11-13-26(14-12-25)28-16-15-27(30(34)21-28)10-7-23-19-31(35)29(32(36)20-23)17-18-33(37,38)39;1-2-18-3-7-20(8-4-18)21-14-27(33)24(28(34)15-21)10-6-19-5-9-23(26(32)13-19)22-16-29(35)25(30(36)17-22)11-12-31(37,38)39;2*1-2-19-3-7-21(8-4-19)23-11-10-22(27(32)16-23)9-5-20-6-12-25(28(33)15-20)24-17-29(34)26(30(35)18-24)13-14-31(36,37)38;2*1-2-20-5-10-23(11-6-20)24-12-7-21(8-13-24)3-4-22-9-14-26(28(32)17-22)25-18-29(33)27(30(34)19-25)15-16-31(35,36)37;1-2-3-14-12-38-27(39-13-14)17-10-23(33)26(24(34)11-17)16-8-21(31)25(22(32)9-16)15-6-19(29)18(20(30)7-15)4-5-28(35,36)37;1-2-3-15-13-37-27(38-14-15)16-4-5-19(21(29)8-16)17-9-24(32)26(25(33)10-17)18-11-22(30)20(23(31)12-18)6-7-28(34,35)36;1-2-3-16-14-36-27(37-15-16)18-5-7-20(24(30)11-18)17-4-6-21(23(29)10-17)19-12-25(31)22(26(32)13-19)8-9-28(33,34)35;1-2-3-16-14-36-27(37-15-16)18-6-4-17(5-7-18)19-10-24(31)26(25(32)11-19)20-12-22(29)21(23(30)13-20)8-9-28(33,34)35;2*1-2-3-17-15-35-27(36-16-17)19-6-4-18(5-7-19)20-8-9-22(24(29)12-20)21-13-25(30)23(26(31)14-21)10-11-28(32,33)34;1-2-3-17-4-6-18(7-5-17)21-15-35-27(36-16-21)19-8-9-22(24(29)12-19)20-13-25(30)23(26(31)14-20)10-11-28(32,33)34;1-2-16-3-5-17(6-4-16)18-7-8-21(23(28)11-18)20-14-34-26(35-15-20)19-12-24(29)22(25(30)13-19)9-10-27(31,32)33/h15-16,19-22,24-26H,2-6,8-9,11-14H2,1H3;5,9,13-18,20H,2-4,7-8H2,1H3;6,10-12,15-19,21H,2-4,7-8H2,1H3;3-4,6-8,10-12,15-18H,2H2,1H3;7-9,12-14,17-20,23H,2,5-6,10-11H2,1H3;5-14,17-19H,2H2,1H3;6-13H,2-3H2,1H3;4-5,8-14H,2-3H2,1H3;2*4-7,10-15H,2-3H2,1H3;3*4-9,12-16H,2-3H2,1H3;3-8,11-15H,2H2,1H3
InChIKeyICUCCGUIGADPOG-UHFFFAOYSA-N
XLogP115.85
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds59
Heavy Atoms522
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007240.63
LogP ≤ 5115.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene?
The IUPAC name of 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene (CID 158661250) is 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene.
What is the SMILES notation for 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene?
The canonical SMILES for 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene is CCC1CCC(c2cc(F)c(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)CC1.CCC1CCC(c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)CC1.CCC1CCC(c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)CC1.CCCCC1CCC(C2CCC(c3ccc(C#Cc4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)CC2)CC1.CCCc1ccc(-c2cnc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)nc2)cc1.CCCc1cnc(-c2cc(F)c(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)nc1.CCc1ccc(-c2ccc(-c3cnc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)nc3)c(F)c2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(-c4cc(F)c(C#CC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1.
What is the InChIKey of 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene?
The InChIKey is ICUCCGUIGADPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F6.C31H22F8.C31H23F7.C31H17F7.C31H24F6.C31H18F6.C28H15F9N2.C28H16F8N2.2C28H17F7N2.3C28H18F6N2.C27H16F6N2/c1-2-3-4-22-5-8-24(9-6-22)25-11-13-26(14-12-25)28-16-15-27(30(34)21-28)10-7-23-19-31(35)29(32(36)20-23)17-18-33(37,38)39;1-2-18-3-7-20(8-4-18)21-14-27(33)24(28(34)15-21)10-6-19-5-9-23(26(32)13-19)22-16-29(35)25(30(36)17-22)11-12-31(37,38)39;2*1-2-19-3-7-21(8-4-19)23-11-10-22(27(32)16-23)9-5-20-6-12-25(28(33)15-20)24-17-29(34)26(30(35)18-24)13-14-31(36,37)38;2*1-2-20-5-10-23(11-6-20)24-12-7-21(8-13-24)3-4-22-9-14-26(28(32)17-22)25-18-29(33)27(30(34)19-25)15-16-31(35,36)37;1-2-3-14-12-38-27(39-13-14)17-10-23(33)26(24(34)11-17)16-8-21(31)25(22(32)9-16)15-6-19(29)18(20(30)7-15)4-5-28(35,36)37;1-2-3-15-13-37-27(38-14-15)16-4-5-19(21(29)8-16)17-9-24(32)26(25(33)10-17)18-11-22(30)20(23(31)12-18)6-7-28(34,35)36;1-2-3-16-14-36-27(37-15-16)18-5-7-20(24(30)11-18)17-4-6-21(23(29)10-17)19-12-25(31)22(26(32)13-19)8-9-28(33,34)35;1-2-3-16-14-36-27(37-15-16)18-6-4-17(5-7-18)19-10-24(31)26(25(32)11-19)20-12-22(29)21(23(30)13-20)8-9-28(33,34)35;2*1-2-3-17-15-35-27(36-16-17)19-6-4-18(5-7-19)20-8-9-22(24(29)12-20)21-13-25(30)23(26(31)14-21)10-11-28(32,33)34;1-2-3-17-4-6-18(7-5-17)21-15-35-27(36-16-21)19-8-9-22(24(29)12-19)20-13-25(30)23(26(31)14-20)10-11-28(32,33)34;1-2-16-3-5-17(6-4-16)18-7-8-21(23(28)11-18)20-14-34-26(35-15-20)19-12-24(29)22(25(30)13-19)9-10-27(31,32)33/h15-16,19-22,24-26H,2-6,8-9,11-14H2,1H3;5,9,13-18,20H,2-4,7-8H2,1H3;6,10-12,15-19,21H,2-4,7-8H2,1H3;3-4,6-8,10-12,15-18H,2H2,1H3;7-9,12-14,17-20,23H,2,5-6,10-11H2,1H3;5-14,17-19H,2H2,1H3;6-13H,2-3H2,1H3;4-5,8-14H,2-3H2,1H3;2*4-7,10-15H,2-3H2,1H3;3*4-9,12-16H,2-3H2,1H3;3-8,11-15H,2H2,1H3.
What are the key properties of 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene?
5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene has a molecular weight of 7240.63 g/mol, XLogP of 115.85, 59 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]phenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]pyrimidine;2-[2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]ethynyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene;2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-propylpyrimidine;bis(2-[4-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]phenyl]-5-propylpyrimidine);2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3-fluorophenyl]-5-(4-propylphenyl)pyrimidine;5-[4-[2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene;5-[4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene is sourced from PubChem (CID 158661250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).