5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine

C276H164F87N7O14 — CID 157111127

IUPAC5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine
SMILESC=CCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1cnc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C33H21F11O.C32H20F11NO.C32H19F11O2.C31H19F9O2.C30H18F9NO2.C30H18F9NO.C30H15F9O2.C29H17F9N2O2.C29H17F9N2O/c1-2-3-4-5-18-6-9-20(10-7-18)21-14-28(38)31(29(39)15-21)33(43,44)45-22-16-24(34)23(25(35)17-22)11-8-19-12-26(36)30(27(37)13-19)32(40,41)42;1-2-3-4-5-17-7-9-28(44-16-17)19-12-26(37)30(27(38)13-19)32(42,43)45-20-14-22(33)21(23(34)15-20)8-6-18-10-24(35)29(25(36)11-18)31(39,40)41;1-2-3-4-17-5-8-19(9-6-17)20-13-25(35)29(26(36)14-20)31(39,40)44-21-15-23(33)22(24(34)16-21)10-7-18-11-27(37)30(28(38)12-18)45-32(41,42)43;1-2-3-10-41-20-7-5-18(6-8-20)19-13-25(34)29(26(35)14-19)31(39,40)42-21-15-23(32)22(24(33)16-21)9-4-17-11-27(36)30(38)28(37)12-17;1-2-3-8-41-18-5-7-27(40-15-18)17-11-23(33)28(24(34)12-17)30(38,39)42-19-13-21(31)20(22(32)14-19)6-4-16-9-25(35)29(37)26(36)10-16;1-2-3-4-16-6-8-27(40-15-16)18-11-23(33)28(24(34)12-18)30(38,39)41-19-13-21(31)20(22(32)14-19)7-5-17-9-25(35)29(37)26(36)10-17;1-2-9-40-19-6-4-17(5-7-19)18-12-24(33)28(25(34)13-18)30(38,39)41-20-14-22(31)21(23(32)15-20)8-3-16-10-26(35)29(37)27(36)11-16;1-2-3-6-41-18-13-39-28(40-14-18)16-9-22(32)26(23(33)10-16)29(37,38)42-17-11-20(30)19(21(31)12-17)5-4-15-7-24(34)27(36)25(35)8-15;1-2-3-4-16-13-39-28(40-14-16)17-9-22(32)26(23(33)10-17)29(37,38)41-18-11-20(30)19(21(31)12-18)6-5-15-7-24(34)27(36)25(35)8-15/h6-7,9-10,12-17H,2-5H2,1H3;7,9-16H,2-5H2,1H3;5-6,8-9,11-16H,2-4H2,1H3;5-8,11-16H,2-3,10H2,1H3;5,7,9-15H,2-3,8H2,1H3;6,8-15H,2-4H2,1H3;2,4-7,10-15H,1,9H2;7-14H,2-3,6H2,1H3;7-14H,2-4H2,1H3
InChIKeyAGWCCXBCTIKECS-UHFFFAOYSA-N
MW5455.21 g/mol
LogP80.58
Rot. Bonds69

About 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine

5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine (PubChem CID 157111127) has the molecular formula C276H164F87N7O14 and a molecular weight of 5455.21 g/mol. Its IUPAC name is 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine.

Molecular Properties

Compound Name5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine
PubChem CID157111127
Molecular FormulaC276H164F87N7O14
Molecular Weight5455.21 g/mol
Exact Mass5452.09
IUPAC Name5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine
SMILESC=CCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1cnc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C33H21F11O.C32H20F11NO.C32H19F11O2.C31H19F9O2.C30H18F9NO2.C30H18F9NO.C30H15F9O2.C29H17F9N2O2.C29H17F9N2O/c1-2-3-4-5-18-6-9-20(10-7-18)21-14-28(38)31(29(39)15-21)33(43,44)45-22-16-24(34)23(25(35)17-22)11-8-19-12-26(36)30(27(37)13-19)32(40,41)42;1-2-3-4-5-17-7-9-28(44-16-17)19-12-26(37)30(27(38)13-19)32(42,43)45-20-14-22(33)21(23(34)15-20)8-6-18-10-24(35)29(25(36)11-18)31(39,40)41;1-2-3-4-17-5-8-19(9-6-17)20-13-25(35)29(26(36)14-20)31(39,40)44-21-15-23(33)22(24(34)16-21)10-7-18-11-27(37)30(28(38)12-18)45-32(41,42)43;1-2-3-10-41-20-7-5-18(6-8-20)19-13-25(34)29(26(35)14-19)31(39,40)42-21-15-23(32)22(24(33)16-21)9-4-17-11-27(36)30(38)28(37)12-17;1-2-3-8-41-18-5-7-27(40-15-18)17-11-23(33)28(24(34)12-17)30(38,39)42-19-13-21(31)20(22(32)14-19)6-4-16-9-25(35)29(37)26(36)10-16;1-2-3-4-16-6-8-27(40-15-16)18-11-23(33)28(24(34)12-18)30(38,39)41-19-13-21(31)20(22(32)14-19)7-5-17-9-25(35)29(37)26(36)10-17;1-2-9-40-19-6-4-17(5-7-19)18-12-24(33)28(25(34)13-18)30(38,39)41-20-14-22(31)21(23(32)15-20)8-3-16-10-26(35)29(37)27(36)11-16;1-2-3-6-41-18-13-39-28(40-14-18)16-9-22(32)26(23(33)10-16)29(37,38)42-17-11-20(30)19(21(31)12-17)5-4-15-7-24(34)27(36)25(35)8-15;1-2-3-4-16-13-39-28(40-14-16)17-9-22(32)26(23(33)10-17)29(37,38)41-18-11-20(30)19(21(31)12-18)6-5-15-7-24(34)27(36)25(35)8-15/h6-7,9-10,12-17H,2-5H2,1H3;7,9-16H,2-5H2,1H3;5-6,8-9,11-16H,2-4H2,1H3;5-8,11-16H,2-3,10H2,1H3;5,7,9-15H,2-3,8H2,1H3;6,8-15H,2-4H2,1H3;2,4-7,10-15H,1,9H2;7-14H,2-3,6H2,1H3;7-14H,2-4H2,1H3
InChIKeyAGWCCXBCTIKECS-UHFFFAOYSA-N
XLogP80.58
TPSA219.45 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds69
Heavy Atoms384
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005455.21
LogP ≤ 580.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine with MolForge

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What is the IUPAC name of 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine?
The IUPAC name of 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine (CID 157111127) is 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine.
What is the SMILES notation for 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine?
The canonical SMILES for 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine is C=CCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1cnc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine?
The InChIKey is AGWCCXBCTIKECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F11O.C32H20F11NO.C32H19F11O2.C31H19F9O2.C30H18F9NO2.C30H18F9NO.C30H15F9O2.C29H17F9N2O2.C29H17F9N2O/c1-2-3-4-5-18-6-9-20(10-7-18)21-14-28(38)31(29(39)15-21)33(43,44)45-22-16-24(34)23(25(35)17-22)11-8-19-12-26(36)30(27(37)13-19)32(40,41)42;1-2-3-4-5-17-7-9-28(44-16-17)19-12-26(37)30(27(38)13-19)32(42,43)45-20-14-22(33)21(23(34)15-20)8-6-18-10-24(35)29(25(36)11-18)31(39,40)41;1-2-3-4-17-5-8-19(9-6-17)20-13-25(35)29(26(36)14-20)31(39,40)44-21-15-23(33)22(24(34)16-21)10-7-18-11-27(37)30(28(38)12-18)45-32(41,42)43;1-2-3-10-41-20-7-5-18(6-8-20)19-13-25(34)29(26(35)14-19)31(39,40)42-21-15-23(32)22(24(33)16-21)9-4-17-11-27(36)30(38)28(37)12-17;1-2-3-8-41-18-5-7-27(40-15-18)17-11-23(33)28(24(34)12-17)30(38,39)42-19-13-21(31)20(22(32)14-19)6-4-16-9-25(35)29(37)26(36)10-16;1-2-3-4-16-6-8-27(40-15-16)18-11-23(33)28(24(34)12-18)30(38,39)41-19-13-21(31)20(22(32)14-19)7-5-17-9-25(35)29(37)26(36)10-17;1-2-9-40-19-6-4-17(5-7-19)18-12-24(33)28(25(34)13-18)30(38,39)41-20-14-22(31)21(23(32)15-20)8-3-16-10-26(35)29(37)27(36)11-16;1-2-3-6-41-18-13-39-28(40-14-18)16-9-22(32)26(23(33)10-16)29(37,38)42-17-11-20(30)19(21(31)12-17)5-4-15-7-24(34)27(36)25(35)8-15;1-2-3-4-16-13-39-28(40-14-16)17-9-22(32)26(23(33)10-17)29(37,38)41-18-11-20(30)19(21(31)12-18)6-5-15-7-24(34)27(36)25(35)8-15/h6-7,9-10,12-17H,2-5H2,1H3;7,9-16H,2-5H2,1H3;5-6,8-9,11-16H,2-4H2,1H3;5-8,11-16H,2-3,10H2,1H3;5,7,9-15H,2-3,8H2,1H3;6,8-15H,2-4H2,1H3;2,4-7,10-15H,1,9H2;7-14H,2-3,6H2,1H3;7-14H,2-4H2,1H3.
What are the key properties of 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine?
5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine has a molecular weight of 5455.21 g/mol, XLogP of 80.58, 69 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyridine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]pyrimidine;5-[[4-(4-butylphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1,3-difluorobenzene;5-[[2,6-difluoro-4-(4-prop-2-enoxyphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine is sourced from PubChem (CID 157111127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).