5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine

C310H203F74N3O14 — CID 161040125

IUPAC5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine
SMILESC=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.C=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C33H23F9O.C32H21F9O3.C31H22F7NO.C31H21F7O2.C31H21F7O.C31H19F7O.C31H21F7O.C31H19F7O.C30H17F7O2.C29H19F7N2O/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-15-26(28(35)16-22)33(41,42)43-24-13-14-25(27(34)19-24)23-17-29(36)31(30(37)18-23)32(38,39)40;1-2-3-14-42-22-9-6-19(7-10-22)4-5-20-8-13-25(27(34)15-20)31(37,38)43-23-11-12-24(26(33)18-23)21-16-28(35)30(29(36)17-21)44-32(39,40)41;1-2-3-4-5-20-7-10-22(39-18-20)9-6-19-8-13-25(27(33)14-19)31(37,38)40-23-11-12-24(26(32)17-23)21-15-28(34)30(36)29(35)16-21;1-2-3-14-39-22-9-6-19(7-10-22)4-5-20-8-13-25(27(33)15-20)31(37,38)40-23-11-12-24(26(32)18-23)21-16-28(34)30(36)29(35)17-21;2*1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-14-25(27(33)15-21)31(37,38)39-23-12-13-24(26(32)18-23)22-16-28(34)30(36)29(35)17-22;2*1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-13-23(14-12-21)31(37,38)39-24-17-25(32)29(26(33)18-24)22-15-27(34)30(36)28(35)16-22;1-2-13-38-21-8-5-18(6-9-21)3-4-19-7-12-24(26(32)14-19)30(36,37)39-22-10-11-23(25(31)17-22)20-15-27(33)29(35)28(34)16-20;1-2-3-4-18-15-37-27(38-16-18)10-6-17-5-9-22(24(31)11-17)29(35,36)39-20-7-8-21(23(30)14-20)19-12-25(32)28(34)26(33)13-19/h6-9,12-19H,2-5H2,1H3;6-13,15-18H,2-3,14H2,1H3;7-8,10-18H,2-5H2,1H3;6-13,15-18H,2-3,14H2,1H3;5-8,11-18H,2-4H2,1H3;2,5-8,11-18H,1,3-4H2;5-8,11-18H,2-4H2,1H3;2,5-8,11-18H,1,3-4H2;2,5-12,14-17H,1,13H2;5,7-9,11-16H,2-4H2,1H3
InChIKeyUATRPWFOBCEELY-UHFFFAOYSA-N
MW5599.89 g/mol
LogP88.25
Rot. Bonds75

About 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine

5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine (PubChem CID 161040125) has the molecular formula C310H203F74N3O14 and a molecular weight of 5599.89 g/mol. Its IUPAC name is 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine.

Molecular Properties

Compound Name5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine
PubChem CID161040125
Molecular FormulaC310H203F74N3O14
Molecular Weight5599.89 g/mol
Exact Mass5596.41
IUPAC Name5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine
SMILESC=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.C=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C33H23F9O.C32H21F9O3.C31H22F7NO.C31H21F7O2.C31H21F7O.C31H19F7O.C31H21F7O.C31H19F7O.C30H17F7O2.C29H19F7N2O/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-15-26(28(35)16-22)33(41,42)43-24-13-14-25(27(34)19-24)23-17-29(36)31(30(37)18-23)32(38,39)40;1-2-3-14-42-22-9-6-19(7-10-22)4-5-20-8-13-25(27(34)15-20)31(37,38)43-23-11-12-24(26(33)18-23)21-16-28(35)30(29(36)17-21)44-32(39,40)41;1-2-3-4-5-20-7-10-22(39-18-20)9-6-19-8-13-25(27(33)14-19)31(37,38)40-23-11-12-24(26(32)17-23)21-15-28(34)30(36)29(35)16-21;1-2-3-14-39-22-9-6-19(7-10-22)4-5-20-8-13-25(27(33)15-20)31(37,38)40-23-11-12-24(26(32)18-23)21-16-28(34)30(36)29(35)17-21;2*1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-14-25(27(33)15-21)31(37,38)39-23-12-13-24(26(32)18-23)22-16-28(34)30(36)29(35)17-22;2*1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-13-23(14-12-21)31(37,38)39-24-17-25(32)29(26(33)18-24)22-15-27(34)30(36)28(35)16-22;1-2-13-38-21-8-5-18(6-9-21)3-4-19-7-12-24(26(32)14-19)30(36,37)39-22-10-11-23(25(31)17-22)20-15-27(33)29(35)28(34)16-20;1-2-3-4-18-15-37-27(38-16-18)10-6-17-5-9-22(24(31)11-17)29(35,36)39-20-7-8-21(23(30)14-20)19-12-25(32)28(34)26(33)13-19/h6-9,12-19H,2-5H2,1H3;6-13,15-18H,2-3,14H2,1H3;7-8,10-18H,2-5H2,1H3;6-13,15-18H,2-3,14H2,1H3;5-8,11-18H,2-4H2,1H3;2,5-8,11-18H,1,3-4H2;5-8,11-18H,2-4H2,1H3;2,5-8,11-18H,1,3-4H2;2,5-12,14-17H,1,13H2;5,7-9,11-16H,2-4H2,1H3
InChIKeyUATRPWFOBCEELY-UHFFFAOYSA-N
XLogP88.25
TPSA167.89 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds75
Heavy Atoms401
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005599.89
LogP ≤ 588.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine with MolForge

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What is the IUPAC name of 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine?
The IUPAC name of 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine (CID 161040125) is 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine.
What is the SMILES notation for 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine?
The canonical SMILES for 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine is C=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.C=CCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(C#Cc2ccc(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine?
The InChIKey is UATRPWFOBCEELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23F9O.C32H21F9O3.C31H22F7NO.C31H21F7O2.C31H21F7O.C31H19F7O.C31H21F7O.C31H19F7O.C30H17F7O2.C29H19F7N2O/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-15-26(28(35)16-22)33(41,42)43-24-13-14-25(27(34)19-24)23-17-29(36)31(30(37)18-23)32(38,39)40;1-2-3-14-42-22-9-6-19(7-10-22)4-5-20-8-13-25(27(34)15-20)31(37,38)43-23-11-12-24(26(33)18-23)21-16-28(35)30(29(36)17-21)44-32(39,40)41;1-2-3-4-5-20-7-10-22(39-18-20)9-6-19-8-13-25(27(33)14-19)31(37,38)40-23-11-12-24(26(32)17-23)21-15-28(34)30(36)29(35)16-21;1-2-3-14-39-22-9-6-19(7-10-22)4-5-20-8-13-25(27(33)15-20)31(37,38)40-23-11-12-24(26(32)18-23)21-16-28(34)30(36)29(35)17-21;2*1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-14-25(27(33)15-21)31(37,38)39-23-12-13-24(26(32)18-23)22-16-28(34)30(36)29(35)17-22;2*1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-13-23(14-12-21)31(37,38)39-24-17-25(32)29(26(33)18-24)22-15-27(34)30(36)28(35)16-22;1-2-13-38-21-8-5-18(6-9-21)3-4-19-7-12-24(26(32)14-19)30(36,37)39-22-10-11-23(25(31)17-22)20-15-27(33)29(35)28(34)16-20;1-2-3-4-18-15-37-27(38-16-18)10-6-17-5-9-22(24(31)11-17)29(35,36)39-20-7-8-21(23(30)14-20)19-12-25(32)28(34)26(33)13-19/h6-9,12-19H,2-5H2,1H3;6-13,15-18H,2-3,14H2,1H3;7-8,10-18H,2-5H2,1H3;6-13,15-18H,2-3,14H2,1H3;5-8,11-18H,2-4H2,1H3;2,5-8,11-18H,1,3-4H2;5-8,11-18H,2-4H2,1H3;2,5-8,11-18H,1,3-4H2;2,5-12,14-17H,1,13H2;5,7-9,11-16H,2-4H2,1H3.
What are the key properties of 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine?
5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine has a molecular weight of 5599.89 g/mol, XLogP of 88.25, 75 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[4-[[4-[2-(4-butoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[[4-[2-(4-butylphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[4-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene;2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluorophenyl]ethynyl]-5-pentylpyridine is sourced from PubChem (CID 161040125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).