5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene

C337H288F37N7O7S2 — CID 161111077

IUPAC5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene
SMILESCC#Cc1cc(C)c(C#Cc2c(F)cc3cc(-c4ccc(OC(F)(F)c5c(F)cc(-c6ccc(CCCCCCCCCC)cn6)cc5F)cc4F)cc(F)c3c2F)cc1F.CCCCCCSc1ccc(-c2ccc(CCc3ccc4c(c3)CCC(C#Cc3c(C)cc(-c5ccc6cc(CCCCC)ccc6c5)cc3F)C4)cc2)c(F)c1.CCCCCc1ccc(-c2ccc(-c3ccc(C#Cc4c(C)cc(-c5ccc(CCC)cc5)cc4F)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(C#Cc4c(C)cc(-c5ccc(CCC)cc5)cc4F)cc3F)cc2)c(F)c1.CCCOc1cc(C)c(F)cc1C#CC1OCC(c2ccc(/C(F)=C(\F)c3c(F)cc(-c4ncc(C)cn4)cc3F)cc2)CO1.CCCSc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C#Cc5cc(F)c(C)cc5CC)cc4)c(F)c3)cc2)cc1.CCCc1ccc2c(F)c(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C#Cc6cc(F)c(F)cc6OC)c(F)c5)c(F)c4)c(F)c3)ccc2c1.CCCc1cnc(-c2ccc(-c3ccc(C#Cc4c(F)cc(CCc5ccc(C)cc5)cc4CC)nc3)nc2)nc1
InChIInChI=1S/C54H56F2S.C50H40F9NO.C41H24F10O2.C41H37F3.C41H38F2.C39H31F5OS.C36H33FN4.C35H29F5N2O3/c1-4-6-8-10-30-57-50-27-29-52(54(56)37-50)43-20-14-39(15-21-43)12-13-41-17-22-45-34-42(18-23-44(45)33-41)19-28-51-38(3)31-49(36-53(51)55)48-26-25-46-32-40(11-9-7-5-2)16-24-47(46)35-48;1-4-6-7-8-9-10-11-12-14-31-15-20-46(60-29-31)35-25-44(55)48(45(56)26-35)50(58,59)61-37-17-19-38(42(53)28-37)34-22-36-27-41(52)39(49(57)47(36)43(54)24-34)18-16-32-23-40(51)33(13-5-2)21-30(32)3;1-3-4-21-5-9-28-22(13-21)7-11-29(40(28)49)23-6-10-27(31(42)14-23)25-16-36(47)39(37(48)17-25)41(50,51)53-26-18-32(43)30(33(44)19-26)12-8-24-15-34(45)35(46)20-38(24)52-2;1-4-6-7-9-30-13-22-37(39(42)25-30)33-17-19-34(20-18-33)38-23-14-31(26-40(38)43)12-21-36-28(3)24-35(27-41(36)44)32-15-10-29(8-5-2)11-16-32;1-4-6-7-9-31-12-14-32(15-13-31)33-18-20-34(21-19-33)37-23-22-36(40(42)27-37)24-25-39-29(3)26-38(28-41(39)43)35-16-10-30(8-5-2)11-17-35;1-4-20-46-34-18-14-29(15-19-34)28-10-12-30(13-11-28)32-23-36(41)38(37(42)24-32)39(43,44)45-33-16-7-26(8-17-33)6-9-31-22-35(40)25(3)21-27(31)5-2;1-4-6-28-21-40-36(41-22-28)31-14-18-35(39-24-31)30-13-15-32(38-23-30)16-17-33-29(5-2)19-27(20-34(33)37)12-11-26-9-7-25(3)8-10-26;1-4-11-43-30-12-21(3)27(36)13-24(30)9-10-31-44-18-26(19-45-31)22-5-7-23(8-6-22)33(39)34(40)32-28(37)14-25(15-29(32)38)35-41-16-20(2)17-42-35/h14-17,20-22,24-27,29,31-33,35-37,42H,4-13,18,23,30,34H2,1-3H3;15,17,19-29H,4,6-12,14H2,1-3H3;5-7,9-11,13-20H,3-4H2,1-2H3;10-11,13-20,22-27H,4-9H2,1-3H3;10-23,26-28H,4-9H2,1-3H3;7-8,10-19,21-24H,4-5,20H2,1-3H3;7-10,13-15,18-24H,4-6,11-12H2,1-3H3;5-8,12-17,26,31H,4,11,18-19H2,1-3H3/b;;;;;;;34-33+
InChIKeyUJRUDAVYQGNJLZ-SMRZHQMZSA-N
MW5315.11 g/mol
LogP91.50
Rot. Bonds79

About 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene

5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene (PubChem CID 161111077) has the molecular formula C337H288F37N7O7S2 and a molecular weight of 5315.11 g/mol. Its IUPAC name is 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene.

Molecular Properties

Compound Name5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene
PubChem CID161111077
Molecular FormulaC337H288F37N7O7S2
Molecular Weight5315.11 g/mol
Exact Mass5311.12
IUPAC Name5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene
SMILESCC#Cc1cc(C)c(C#Cc2c(F)cc3cc(-c4ccc(OC(F)(F)c5c(F)cc(-c6ccc(CCCCCCCCCC)cn6)cc5F)cc4F)cc(F)c3c2F)cc1F.CCCCCCSc1ccc(-c2ccc(CCc3ccc4c(c3)CCC(C#Cc3c(C)cc(-c5ccc6cc(CCCCC)ccc6c5)cc3F)C4)cc2)c(F)c1.CCCCCc1ccc(-c2ccc(-c3ccc(C#Cc4c(C)cc(-c5ccc(CCC)cc5)cc4F)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(C#Cc4c(C)cc(-c5ccc(CCC)cc5)cc4F)cc3F)cc2)c(F)c1.CCCOc1cc(C)c(F)cc1C#CC1OCC(c2ccc(/C(F)=C(\F)c3c(F)cc(-c4ncc(C)cn4)cc3F)cc2)CO1.CCCSc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C#Cc5cc(F)c(C)cc5CC)cc4)c(F)c3)cc2)cc1.CCCc1ccc2c(F)c(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C#Cc6cc(F)c(F)cc6OC)c(F)c5)c(F)c4)c(F)c3)ccc2c1.CCCc1cnc(-c2ccc(-c3ccc(C#Cc4c(F)cc(CCc5ccc(C)cc5)cc4CC)nc3)nc2)nc1
InChIInChI=1S/C54H56F2S.C50H40F9NO.C41H24F10O2.C41H37F3.C41H38F2.C39H31F5OS.C36H33FN4.C35H29F5N2O3/c1-4-6-8-10-30-57-50-27-29-52(54(56)37-50)43-20-14-39(15-21-43)12-13-41-17-22-45-34-42(18-23-44(45)33-41)19-28-51-38(3)31-49(36-53(51)55)48-26-25-46-32-40(11-9-7-5-2)16-24-47(46)35-48;1-4-6-7-8-9-10-11-12-14-31-15-20-46(60-29-31)35-25-44(55)48(45(56)26-35)50(58,59)61-37-17-19-38(42(53)28-37)34-22-36-27-41(52)39(49(57)47(36)43(54)24-34)18-16-32-23-40(51)33(13-5-2)21-30(32)3;1-3-4-21-5-9-28-22(13-21)7-11-29(40(28)49)23-6-10-27(31(42)14-23)25-16-36(47)39(37(48)17-25)41(50,51)53-26-18-32(43)30(33(44)19-26)12-8-24-15-34(45)35(46)20-38(24)52-2;1-4-6-7-9-30-13-22-37(39(42)25-30)33-17-19-34(20-18-33)38-23-14-31(26-40(38)43)12-21-36-28(3)24-35(27-41(36)44)32-15-10-29(8-5-2)11-16-32;1-4-6-7-9-31-12-14-32(15-13-31)33-18-20-34(21-19-33)37-23-22-36(40(42)27-37)24-25-39-29(3)26-38(28-41(39)43)35-16-10-30(8-5-2)11-17-35;1-4-20-46-34-18-14-29(15-19-34)28-10-12-30(13-11-28)32-23-36(41)38(37(42)24-32)39(43,44)45-33-16-7-26(8-17-33)6-9-31-22-35(40)25(3)21-27(31)5-2;1-4-6-28-21-40-36(41-22-28)31-14-18-35(39-24-31)30-13-15-32(38-23-30)16-17-33-29(5-2)19-27(20-34(33)37)12-11-26-9-7-25(3)8-10-26;1-4-11-43-30-12-21(3)27(36)13-24(30)9-10-31-44-18-26(19-45-31)22-5-7-23(8-6-22)33(39)34(40)32-28(37)14-25(15-29(32)38)35-41-16-20(2)17-42-35/h14-17,20-22,24-27,29,31-33,35-37,42H,4-13,18,23,30,34H2,1-3H3;15,17,19-29H,4,6-12,14H2,1-3H3;5-7,9-11,13-20H,3-4H2,1-2H3;10-11,13-20,22-27H,4-9H2,1-3H3;10-23,26-28H,4-9H2,1-3H3;7-8,10-19,21-24H,4-5,20H2,1-3H3;7-10,13-15,18-24H,4-6,11-12H2,1-3H3;5-8,12-17,26,31H,4,11,18-19H2,1-3H3/b;;;;;;;34-33+
InChIKeyUJRUDAVYQGNJLZ-SMRZHQMZSA-N
XLogP91.50
TPSA154.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds79
Heavy Atoms390
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005315.11
LogP ≤ 591.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene?
The IUPAC name of 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene (CID 161111077) is 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene.
What is the SMILES notation for 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene?
The canonical SMILES for 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene is CC#Cc1cc(C)c(C#Cc2c(F)cc3cc(-c4ccc(OC(F)(F)c5c(F)cc(-c6ccc(CCCCCCCCCC)cn6)cc5F)cc4F)cc(F)c3c2F)cc1F.CCCCCCSc1ccc(-c2ccc(CCc3ccc4c(c3)CCC(C#Cc3c(C)cc(-c5ccc6cc(CCCCC)ccc6c5)cc3F)C4)cc2)c(F)c1.CCCCCc1ccc(-c2ccc(-c3ccc(C#Cc4c(C)cc(-c5ccc(CCC)cc5)cc4F)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(C#Cc4c(C)cc(-c5ccc(CCC)cc5)cc4F)cc3F)cc2)c(F)c1.CCCOc1cc(C)c(F)cc1C#CC1OCC(c2ccc(/C(F)=C(\F)c3c(F)cc(-c4ncc(C)cn4)cc3F)cc2)CO1.CCCSc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C#Cc5cc(F)c(C)cc5CC)cc4)c(F)c3)cc2)cc1.CCCc1ccc2c(F)c(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C#Cc6cc(F)c(F)cc6OC)c(F)c5)c(F)c4)c(F)c3)ccc2c1.CCCc1cnc(-c2ccc(-c3ccc(C#Cc4c(F)cc(CCc5ccc(C)cc5)cc4CC)nc3)nc2)nc1.
What is the InChIKey of 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene?
The InChIKey is UJRUDAVYQGNJLZ-SMRZHQMZSA-N. The full InChI is InChI=1S/C54H56F2S.C50H40F9NO.C41H24F10O2.C41H37F3.C41H38F2.C39H31F5OS.C36H33FN4.C35H29F5N2O3/c1-4-6-8-10-30-57-50-27-29-52(54(56)37-50)43-20-14-39(15-21-43)12-13-41-17-22-45-34-42(18-23-44(45)33-41)19-28-51-38(3)31-49(36-53(51)55)48-26-25-46-32-40(11-9-7-5-2)16-24-47(46)35-48;1-4-6-7-8-9-10-11-12-14-31-15-20-46(60-29-31)35-25-44(55)48(45(56)26-35)50(58,59)61-37-17-19-38(42(53)28-37)34-22-36-27-41(52)39(49(57)47(36)43(54)24-34)18-16-32-23-40(51)33(13-5-2)21-30(32)3;1-3-4-21-5-9-28-22(13-21)7-11-29(40(28)49)23-6-10-27(31(42)14-23)25-16-36(47)39(37(48)17-25)41(50,51)53-26-18-32(43)30(33(44)19-26)12-8-24-15-34(45)35(46)20-38(24)52-2;1-4-6-7-9-30-13-22-37(39(42)25-30)33-17-19-34(20-18-33)38-23-14-31(26-40(38)43)12-21-36-28(3)24-35(27-41(36)44)32-15-10-29(8-5-2)11-16-32;1-4-6-7-9-31-12-14-32(15-13-31)33-18-20-34(21-19-33)37-23-22-36(40(42)27-37)24-25-39-29(3)26-38(28-41(39)43)35-16-10-30(8-5-2)11-17-35;1-4-20-46-34-18-14-29(15-19-34)28-10-12-30(13-11-28)32-23-36(41)38(37(42)24-32)39(43,44)45-33-16-7-26(8-17-33)6-9-31-22-35(40)25(3)21-27(31)5-2;1-4-6-28-21-40-36(41-22-28)31-14-18-35(39-24-31)30-13-15-32(38-23-30)16-17-33-29(5-2)19-27(20-34(33)37)12-11-26-9-7-25(3)8-10-26;1-4-11-43-30-12-21(3)27(36)13-24(30)9-10-31-44-18-26(19-45-31)22-5-7-23(8-6-22)33(39)34(40)32-28(37)14-25(15-29(32)38)35-41-16-20(2)17-42-35/h14-17,20-22,24-27,29,31-33,35-37,42H,4-13,18,23,30,34H2,1-3H3;15,17,19-29H,4,6-12,14H2,1-3H3;5-7,9-11,13-20H,3-4H2,1-2H3;10-11,13-20,22-27H,4-9H2,1-3H3;10-23,26-28H,4-9H2,1-3H3;7-8,10-19,21-24H,4-5,20H2,1-3H3;7-10,13-15,18-24H,4-6,11-12H2,1-3H3;5-8,12-17,26,31H,4,11,18-19H2,1-3H3/b;;;;;;;34-33+.
What are the key properties of 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene?
5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene has a molecular weight of 5315.11 g/mol, XLogP of 91.50, 79 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-[2-(5-fluoro-2-methyl-4-prop-1-ynylphenyl)ethynyl]naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]pyridine;2-[4-[(E)-1,2-difluoro-2-[4-[2-[2-(5-fluoro-4-methyl-2-propoxyphenyl)ethynyl]-1,3-dioxan-5-yl]phenyl]ethenyl]-3,5-difluorophenyl]-5-methylpyrimidine;2-[4-[4-[[4-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-1-fluoro-6-propylnaphthalene;1-[2-[4-[[2,6-difluoro-4-[4-(4-propylsulfanylphenyl)phenyl]phenyl]-difluoromethoxy]phenyl]ethynyl]-2-ethyl-5-fluoro-4-methylbenzene;2-[6-[6-[2-[2-ethyl-6-fluoro-4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-propylpyrimidine;1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene;2-[3-fluoro-4-[2-[6-[2-[4-(2-fluoro-4-hexylsulfanylphenyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethynyl]-5-methylphenyl]-6-pentylnaphthalene;1-fluoro-2-[2-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene is sourced from PubChem (CID 161111077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).