5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene

C290H168F73N9O12 — CID 159342685

IUPAC5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene
SMILESC=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C33H20F10N2O2.C33H17F10NO.C33H21F8NO.C33H21F7O.C33H19F7O.C32H19F8NO2.C31H18F8N2O.C31H16F8N2O.C31H17F7O2/c1-2-3-4-5-21-17-44-30(45-18-21)11-8-19-7-10-24(27(36)12-19)32(39,40)46-22-15-25(34)23(26(35)16-22)9-6-20-13-28(37)31(29(38)14-20)47-33(41,42)43;1-2-3-4-20-6-10-22(44-18-20)9-5-19-8-12-25(28(36)13-19)33(42,43)45-23-16-26(34)24(27(35)17-23)11-7-21-14-29(37)31(30(38)15-21)32(39,40)41;1-2-3-4-5-21-7-11-23(42-19-21)10-6-20-9-13-26(29(36)14-20)33(40,41)43-24-17-27(34)25(28(35)18-24)12-8-22-15-30(37)32(39)31(38)16-22;2*1-2-3-4-21-5-7-22(8-6-21)9-10-23-12-16-27(29(35)17-23)33(39,40)41-26-15-14-25(28(34)20-26)13-11-24-18-30(36)32(38)31(37)19-24;1-2-3-12-42-22-9-8-21(41-18-22)7-4-19-6-11-25(28(35)13-19)32(39,40)43-23-16-26(33)24(27(34)17-23)10-5-20-14-29(36)31(38)30(37)15-20;2*1-2-3-4-20-16-40-29(41-17-20)10-7-18-6-9-23(26(34)11-18)31(38,39)42-21-14-24(32)22(25(33)15-21)8-5-19-12-27(35)30(37)28(36)13-19;1-2-39-23-11-6-19(7-12-23)3-4-20-8-14-25(27(33)15-20)31(37,38)40-24-13-10-22(26(32)18-24)9-5-21-16-28(34)30(36)29(35)17-21/h7,10,12-18H,2-5H2,1H3;2,6,8,10,12-18H,1,3-4H2;7,9,11,13-19H,2-5H2,1H3;5-8,12,14-20H,2-4H2,1H3;2,5-8,12,14-20H,1,3-4H2;6,8-9,11,13-18H,2-3,12H2,1H3;6,9,11-17H,2-4H2,1H3;2,6,9,11-17H,1,3-4H2;6-8,10-18H,2H2,1H3
InChIKeyLGIFCUCYVHVDSJ-UHFFFAOYSA-N
MW5357.44 g/mol
LogP73.90
Rot. Bonds57

About 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene

5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene (PubChem CID 159342685) has the molecular formula C290H168F73N9O12 and a molecular weight of 5357.44 g/mol. Its IUPAC name is 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene
PubChem CID159342685
Molecular FormulaC290H168F73N9O12
Molecular Weight5357.44 g/mol
Exact Mass5354.16
IUPAC Name5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene
SMILESC=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C33H20F10N2O2.C33H17F10NO.C33H21F8NO.C33H21F7O.C33H19F7O.C32H19F8NO2.C31H18F8N2O.C31H16F8N2O.C31H17F7O2/c1-2-3-4-5-21-17-44-30(45-18-21)11-8-19-7-10-24(27(36)12-19)32(39,40)46-22-15-25(34)23(26(35)16-22)9-6-20-13-28(37)31(29(38)14-20)47-33(41,42)43;1-2-3-4-20-6-10-22(44-18-20)9-5-19-8-12-25(28(36)13-19)33(42,43)45-23-16-26(34)24(27(35)17-23)11-7-21-14-29(37)31(30(38)15-21)32(39,40)41;1-2-3-4-5-21-7-11-23(42-19-21)10-6-20-9-13-26(29(36)14-20)33(40,41)43-24-17-27(34)25(28(35)18-24)12-8-22-15-30(37)32(39)31(38)16-22;2*1-2-3-4-21-5-7-22(8-6-21)9-10-23-12-16-27(29(35)17-23)33(39,40)41-26-15-14-25(28(34)20-26)13-11-24-18-30(36)32(38)31(37)19-24;1-2-3-12-42-22-9-8-21(41-18-22)7-4-19-6-11-25(28(35)13-19)32(39,40)43-23-16-26(33)24(27(34)17-23)10-5-20-14-29(36)31(38)30(37)15-20;2*1-2-3-4-20-16-40-29(41-17-20)10-7-18-6-9-23(26(34)11-18)31(38,39)42-21-14-24(32)22(25(33)15-21)8-5-19-12-27(35)30(37)28(36)13-19;1-2-39-23-11-6-19(7-12-23)3-4-20-8-14-25(27(33)15-20)31(37,38)40-24-13-10-22(26(32)18-24)9-5-21-16-28(34)30(36)29(35)17-21/h7,10,12-18H,2-5H2,1H3;2,6,8,10,12-18H,1,3-4H2;7,9,11,13-19H,2-5H2,1H3;5-8,12,14-20H,2-4H2,1H3;2,5-8,12,14-20H,1,3-4H2;6,8-9,11,13-18H,2-3,12H2,1H3;6,9,11-17H,2-4H2,1H3;2,6,9,11-17H,1,3-4H2;6-8,10-18H,2H2,1H3
InChIKeyLGIFCUCYVHVDSJ-UHFFFAOYSA-N
XLogP73.90
TPSA226.77 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds57
Heavy Atoms384
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005357.44
LogP ≤ 573.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene with MolForge

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What is the IUPAC name of 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene (CID 159342685) is 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene is C=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene?
The InChIKey is LGIFCUCYVHVDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F10N2O2.C33H17F10NO.C33H21F8NO.C33H21F7O.C33H19F7O.C32H19F8NO2.C31H18F8N2O.C31H16F8N2O.C31H17F7O2/c1-2-3-4-5-21-17-44-30(45-18-21)11-8-19-7-10-24(27(36)12-19)32(39,40)46-22-15-25(34)23(26(35)16-22)9-6-20-13-28(37)31(29(38)14-20)47-33(41,42)43;1-2-3-4-20-6-10-22(44-18-20)9-5-19-8-12-25(28(36)13-19)33(42,43)45-23-16-26(34)24(27(35)17-23)11-7-21-14-29(37)31(30(38)15-21)32(39,40)41;1-2-3-4-5-21-7-11-23(42-19-21)10-6-20-9-13-26(29(36)14-20)33(40,41)43-24-17-27(34)25(28(35)18-24)12-8-22-15-30(37)32(39)31(38)16-22;2*1-2-3-4-21-5-7-22(8-6-21)9-10-23-12-16-27(29(35)17-23)33(39,40)41-26-15-14-25(28(34)20-26)13-11-24-18-30(36)32(38)31(37)19-24;1-2-3-12-42-22-9-8-21(41-18-22)7-4-19-6-11-25(28(35)13-19)32(39,40)43-23-16-26(33)24(27(34)17-23)10-5-20-14-29(36)31(38)30(37)15-20;2*1-2-3-4-20-16-40-29(41-17-20)10-7-18-6-9-23(26(34)11-18)31(38,39)42-21-14-24(32)22(25(33)15-21)8-5-19-12-27(35)30(37)28(36)13-19;1-2-39-23-11-6-19(7-12-23)3-4-20-8-14-25(27(33)15-20)31(37,38)40-24-13-10-22(26(32)18-24)9-5-21-16-28(34)30(36)29(35)17-21/h7,10,12-18H,2-5H2,1H3;2,6,8,10,12-18H,1,3-4H2;7,9,11,13-19H,2-5H2,1H3;5-8,12,14-20H,2-4H2,1H3;2,5-8,12,14-20H,1,3-4H2;6,8-9,11,13-18H,2-3,12H2,1H3;6,9,11-17H,2-4H2,1H3;2,6,9,11-17H,1,3-4H2;6-8,10-18H,2H2,1H3.
What are the key properties of 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene?
5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene has a molecular weight of 5357.44 g/mol, XLogP of 73.90, 57 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-but-3-enyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;5-butoxy-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyridine;5-butyl-2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[2-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene;2-[2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine;5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 159342685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).