6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane

C231H141F61O9 — CID 159889584

IUPAC6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane
SMILESC=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1.CCCCCC1CCC(c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCCc1ccc(C#Cc2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)cc1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C44H27F11O.C39H24F10O.C38H28F10O2.C38H20F10O.C37H26F10O3.C35H16F10O/c1-2-3-4-5-6-25-7-9-26(10-8-25)11-12-27-13-15-33-28(19-27)22-36(46)39(42(33)50)30-23-37(47)40(38(48)24-30)44(54,55)56-31-14-16-32-29(20-31)21-35(45)34(41(32)49)17-18-43(51,52)53;1-2-3-4-5-23-6-9-25(10-7-23)27-13-12-26(32(40)21-27)11-8-24-18-34(42)36(35(43)19-24)39(48,49)50-29-14-15-30-28(20-29)22-33(41)31(37(30)44)16-17-38(45,46)47;1-2-3-4-5-22-7-13-34(49-21-22)25-10-9-24(30(39)19-25)8-6-23-16-32(41)35(33(42)17-23)38(47,48)50-27-11-12-28-26(18-27)20-31(40)29(36(28)43)14-15-37(44,45)46;1-2-3-4-22-5-7-23(8-6-22)9-10-24-11-13-28(31(39)17-24)26-20-33(41)35(34(42)21-26)38(47,48)49-27-12-14-29-25(18-27)19-32(40)30(36(29)43)15-16-37(44,45)46;1-2-3-4-5-22-19-48-35(49-20-22)24-9-8-23(29(38)17-24)7-6-21-14-31(40)33(32(41)15-21)37(46,47)50-26-10-11-27-25(16-26)18-30(39)28(34(27)42)12-13-36(43,44)45;1-19-2-5-21(6-3-19)23-9-8-22(28(36)17-23)7-4-20-14-30(38)32(31(39)15-20)35(44,45)46-25-10-11-26-24(16-25)18-29(37)27(33(26)40)12-13-34(41,42)43/h7-10,13-16,19-24H,2-6H2,1H3;6-7,9-10,12-15,18-22H,2-5H2,1H3;9-12,16-20,22,34H,2-5,7,13,21H2,1H3;2,5-8,11-14,17-21H,1,3-4H2;8-11,14-18,22,35H,2-5,19-20H2,1H3;2-3,5-6,8-11,14-18H,1H3
InChIKeyNUOPMHSKBWOUNG-UHFFFAOYSA-N
MW4219.54 g/mol
LogP66.40
Rot. Bonds44

About 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane

6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane (PubChem CID 159889584) has the molecular formula C231H141F61O9 and a molecular weight of 4219.54 g/mol. Its IUPAC name is 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane.

Molecular Properties

Compound Name6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane
PubChem CID159889584
Molecular FormulaC231H141F61O9
Molecular Weight4219.54 g/mol
Exact Mass4216.96
IUPAC Name6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane
SMILESC=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1.CCCCCC1CCC(c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCCc1ccc(C#Cc2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)cc1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C44H27F11O.C39H24F10O.C38H28F10O2.C38H20F10O.C37H26F10O3.C35H16F10O/c1-2-3-4-5-6-25-7-9-26(10-8-25)11-12-27-13-15-33-28(19-27)22-36(46)39(42(33)50)30-23-37(47)40(38(48)24-30)44(54,55)56-31-14-16-32-29(20-31)21-35(45)34(41(32)49)17-18-43(51,52)53;1-2-3-4-5-23-6-9-25(10-7-23)27-13-12-26(32(40)21-27)11-8-24-18-34(42)36(35(43)19-24)39(48,49)50-29-14-15-30-28(20-29)22-33(41)31(37(30)44)16-17-38(45,46)47;1-2-3-4-5-22-7-13-34(49-21-22)25-10-9-24(30(39)19-25)8-6-23-16-32(41)35(33(42)17-23)38(47,48)50-27-11-12-28-26(18-27)20-31(40)29(36(28)43)14-15-37(44,45)46;1-2-3-4-22-5-7-23(8-6-22)9-10-24-11-13-28(31(39)17-24)26-20-33(41)35(34(42)21-26)38(47,48)49-27-12-14-29-25(18-27)19-32(40)30(36(29)43)15-16-37(44,45)46;1-2-3-4-5-22-19-48-35(49-20-22)24-9-8-23(29(38)17-24)7-6-21-14-31(40)33(32(41)15-21)37(46,47)50-26-10-11-27-25(16-26)18-30(39)28(34(27)42)12-13-36(43,44)45;1-19-2-5-21(6-3-19)23-9-8-22(28(36)17-23)7-4-20-14-30(38)32(31(39)15-20)35(44,45)46-25-10-11-26-24(16-25)18-29(37)27(33(26)40)12-13-34(41,42)43/h7-10,13-16,19-24H,2-6H2,1H3;6-7,9-10,12-15,18-22H,2-5H2,1H3;9-12,16-20,22,34H,2-5,7,13,21H2,1H3;2,5-8,11-14,17-21H,1,3-4H2;8-11,14-18,22,35H,2-5,19-20H2,1H3;2-3,5-6,8-11,14-18H,1H3
InChIKeyNUOPMHSKBWOUNG-UHFFFAOYSA-N
XLogP66.40
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds44
Heavy Atoms301
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004219.54
LogP ≤ 566.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane with MolForge

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Related Compounds

2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methyloxane
CID 138468139
6-[[2,6-difluoro-4-[2-fluoro-4-[2-(2-fluoro-4,6-dimethylphenyl)ethynyl]phenyl]phenyl]-difluoromethoxy]-2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-1,3-difluoronaphthalene
CID 134376503
2-[4-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane
CID 59329958
6-[[2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468373
5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane
CID 161177731
2-[6-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]oxane
CID 138458804
2-[4-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-heptyl-1,3-dioxane
CID 59328763
2-[4-[4-[[4-(3,5-difluoro-4-propylphenyl)-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane
CID 59329517
2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-methylpyrimidine
CID 138468168
5-butoxy-2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]pyrimidine
CID 145389388
2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-heptyl-1,3-dioxane
CID 59330031
2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-hexyl-1,3-dioxane
CID 59328997

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane?
The IUPAC name of 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane (CID 159889584) is 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane.
What is the SMILES notation for 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane?
The canonical SMILES for 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane is C=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1.CCCCCC1CCC(c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCCc1ccc(C#Cc2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)cc1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane?
The InChIKey is NUOPMHSKBWOUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27F11O.C39H24F10O.C38H28F10O2.C38H20F10O.C37H26F10O3.C35H16F10O/c1-2-3-4-5-6-25-7-9-26(10-8-25)11-12-27-13-15-33-28(19-27)22-36(46)39(42(33)50)30-23-37(47)40(38(48)24-30)44(54,55)56-31-14-16-32-29(20-31)21-35(45)34(41(32)49)17-18-43(51,52)53;1-2-3-4-5-23-6-9-25(10-7-23)27-13-12-26(32(40)21-27)11-8-24-18-34(42)36(35(43)19-24)39(48,49)50-29-14-15-30-28(20-29)22-33(41)31(37(30)44)16-17-38(45,46)47;1-2-3-4-5-22-7-13-34(49-21-22)25-10-9-24(30(39)19-25)8-6-23-16-32(41)35(33(42)17-23)38(47,48)50-27-11-12-28-26(18-27)20-31(40)29(36(28)43)14-15-37(44,45)46;1-2-3-4-22-5-7-23(8-6-22)9-10-24-11-13-28(31(39)17-24)26-20-33(41)35(34(42)21-26)38(47,48)49-27-12-14-29-25(18-27)19-32(40)30(36(29)43)15-16-37(44,45)46;1-2-3-4-5-22-19-48-35(49-20-22)24-9-8-23(29(38)17-24)7-6-21-14-31(40)33(32(41)15-21)37(46,47)50-26-10-11-27-25(16-26)18-30(39)28(34(27)42)12-13-36(43,44)45;1-19-2-5-21(6-3-19)23-9-8-22(28(36)17-23)7-4-20-14-30(38)32(31(39)15-20)35(44,45)46-25-10-11-26-24(16-25)18-29(37)27(33(26)40)12-13-34(41,42)43/h7-10,13-16,19-24H,2-6H2,1H3;6-7,9-10,12-15,18-22H,2-5H2,1H3;9-12,16-20,22,34H,2-5,7,13,21H2,1H3;2,5-8,11-14,17-21H,1,3-4H2;8-11,14-18,22,35H,2-5,19-20H2,1H3;2-3,5-6,8-11,14-18H,1H3.
What are the key properties of 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane?
6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane has a molecular weight of 4219.54 g/mol, XLogP of 66.40, 44 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-[2-fluoro-4-(4-pentylphenyl)phenyl]ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[2-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]ethynyl]-3-fluorophenyl]-5-pentyloxane is sourced from PubChem (CID 159889584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).