5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine

C218H127F62N7O6 — CID 158027309

IUPAC5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine
SMILESC=CCCc1cnc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5cc(F)c6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1.CCCCCc1ccc2cc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)c3)ccc2c1.CCCCCc1cnc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C41H26F10O.C40H23F12NO.C36H23F10NO.C35H22F10N2O.C34H18F10N2O.C32H15F10NO/c1-2-3-4-5-23-6-7-25-17-26(9-8-24(25)16-23)27-10-12-31(34(42)19-27)29-21-36(44)38(37(45)22-29)41(50,51)52-30-11-13-32-28(18-30)20-35(43)33(39(32)46)14-15-40(47,48)49;1-2-3-4-5-20-6-9-33(53-19-20)21-7-8-26-22(12-21)14-29(42)35(37(26)46)24-16-31(44)36(32(45)17-24)40(51,52)54-25-13-23-15-28(41)27(10-11-39(48,49)50)38(47)34(23)30(43)18-25;1-2-3-4-5-20-6-11-32(47-19-20)21-7-9-25(28(37)15-21)23-17-30(39)33(31(40)18-23)36(45,46)48-24-8-10-26-22(14-24)16-29(38)27(34(26)41)12-13-35(42,43)44;1-2-3-4-5-19-17-46-33(47-18-19)20-6-8-24(27(36)13-20)22-15-29(38)31(30(39)16-22)35(44,45)48-23-7-9-25-21(12-23)14-28(37)26(32(25)40)10-11-34(41,42)43;1-2-3-4-18-16-45-32(46-17-18)19-5-7-23(26(35)12-19)21-14-28(37)30(29(38)15-21)34(43,44)47-22-6-8-24-20(11-22)13-27(36)25(31(24)39)9-10-33(40,41)42;1-16-2-7-28(43-15-16)17-3-5-21(24(33)11-17)19-13-26(35)29(27(36)14-19)32(41,42)44-20-4-6-22-18(10-20)12-25(34)23(30(22)37)8-9-31(38,39)40/h6-13,16-22H,2-5H2,1H3;6-9,12-19H,2-5H2,1H3;6-11,14-19H,2-5H2,1H3;6-9,12-18H,2-5H2,1H3;2,5-8,11-17H,1,3-4H2;2-7,10-15H,1H3
InChIKeyFGTGFORXUJHDOB-UHFFFAOYSA-N
MW4118.33 g/mol
LogP66.18
Rot. Bonds49

About 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine

5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine (PubChem CID 158027309) has the molecular formula C218H127F62N7O6 and a molecular weight of 4118.33 g/mol. Its IUPAC name is 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine.

Molecular Properties

Compound Name5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine
PubChem CID158027309
Molecular FormulaC218H127F62N7O6
Molecular Weight4118.33 g/mol
Exact Mass4115.89
IUPAC Name5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine
SMILESC=CCCc1cnc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5cc(F)c6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1.CCCCCc1ccc2cc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)c3)ccc2c1.CCCCCc1cnc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C41H26F10O.C40H23F12NO.C36H23F10NO.C35H22F10N2O.C34H18F10N2O.C32H15F10NO/c1-2-3-4-5-23-6-7-25-17-26(9-8-24(25)16-23)27-10-12-31(34(42)19-27)29-21-36(44)38(37(45)22-29)41(50,51)52-30-11-13-32-28(18-30)20-35(43)33(39(32)46)14-15-40(47,48)49;1-2-3-4-5-20-6-9-33(53-19-20)21-7-8-26-22(12-21)14-29(42)35(37(26)46)24-16-31(44)36(32(45)17-24)40(51,52)54-25-13-23-15-28(41)27(10-11-39(48,49)50)38(47)34(23)30(43)18-25;1-2-3-4-5-20-6-11-32(47-19-20)21-7-9-25(28(37)15-21)23-17-30(39)33(31(40)18-23)36(45,46)48-24-8-10-26-22(14-24)16-29(38)27(34(26)41)12-13-35(42,43)44;1-2-3-4-5-19-17-46-33(47-18-19)20-6-8-24(27(36)13-20)22-15-29(38)31(30(39)16-22)35(44,45)48-23-7-9-25-21(12-23)14-28(37)26(32(25)40)10-11-34(41,42)43;1-2-3-4-18-16-45-32(46-17-18)19-5-7-23(26(35)12-19)21-14-28(37)30(29(38)15-21)34(43,44)47-22-6-8-24-20(11-22)13-27(36)25(31(24)39)9-10-33(40,41)42;1-16-2-7-28(43-15-16)17-3-5-21(24(33)11-17)19-13-26(35)29(27(36)14-19)32(41,42)44-20-4-6-22-18(10-20)12-25(34)23(30(22)37)8-9-31(38,39)40/h6-13,16-22H,2-5H2,1H3;6-9,12-19H,2-5H2,1H3;6-11,14-19H,2-5H2,1H3;6-9,12-18H,2-5H2,1H3;2,5-8,11-17H,1,3-4H2;2-7,10-15H,1H3
InChIKeyFGTGFORXUJHDOB-UHFFFAOYSA-N
XLogP66.18
TPSA145.61 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds49
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004118.33
LogP ≤ 566.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine with MolForge

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Related Compounds

2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-5-[6-[(E)-pent-3-enyl]-3-pyridinyl]pyrimidine
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CID 58336366
2-[4-(4-Ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-5-(6-pent-3-enyl-3-pyridinyl)pyrimidine
CID 73687076
2,2,2-trifluoro-N-((1-(4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)acetamide (4-(4-(6-Methoxynaphthalen-2-yl)pyrimidin-2-yl)cyclohexyl)methanamine
CID 86627989
2-(2-Fluoro-4-propylphenyl)-5-[4-[6-[1-[2-[6-[4-[2-(2-fluoro-4-propylphenyl)pyrimidin-5-yl]phenoxy]hexoxy]-6-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]-6-[4-(4-propylcyclohexyl)phenyl]naphthalen-2-yl]oxyhexoxy]phenyl]pyrimidine
CID 89593075
2-(2-Fluoro-4-propylphenyl)-5-[4-[6-[1-[2-[6-[4-[2-(2-fluoro-4-propylphenyl)pyrimidin-5-yl]phenoxy]hexoxy]-3-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]-3-[4-(4-propylcyclohexyl)phenyl]naphthalen-2-yl]oxyhexoxy]phenyl]pyrimidine
CID 89593077
5-[1-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]-2,2-bis(2,3-difluorophenyl)-5-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4H-imidazo[4,5-d]pyridazin-5-ium
CID 91236120
4,6-Bis(2,4-difluoro-3-hexoxy-5-pyridin-2-ylphenyl)pyrimidine
CID 102333922
2-[6-[6-[2-[4-[2-(4-Butoxyphenyl)ethyl]-2-ethyl-6-fluorophenyl]ethynyl]-3-pyridinyl]-3-pyridinyl]-5-methylpyrimidine
CID 134376552
2,2,2-trifluoro-N-((1-(4-(6-hydroxynaphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)acetamide 2,2,2-trifluoro-N-((1-(4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)acetamide
CID 136346729
N-[[1-[4-(6-ethoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-[[1-[4-(6-hydroxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide
CID 136363978
2-[2-[4-[Difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]ethynyl]pyrimidine
CID 138458270

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine?
The IUPAC name of 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine (CID 158027309) is 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine.
What is the SMILES notation for 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine?
The canonical SMILES for 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine is C=CCCc1cnc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5cc(F)c6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1.CCCCCc1ccc2cc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)c3)ccc2c1.CCCCCc1cnc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine?
The InChIKey is FGTGFORXUJHDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26F10O.C40H23F12NO.C36H23F10NO.C35H22F10N2O.C34H18F10N2O.C32H15F10NO/c1-2-3-4-5-23-6-7-25-17-26(9-8-24(25)16-23)27-10-12-31(34(42)19-27)29-21-36(44)38(37(45)22-29)41(50,51)52-30-11-13-32-28(18-30)20-35(43)33(39(32)46)14-15-40(47,48)49;1-2-3-4-5-20-6-9-33(53-19-20)21-7-8-26-22(12-21)14-29(42)35(37(26)46)24-16-31(44)36(32(45)17-24)40(51,52)54-25-13-23-15-28(41)27(10-11-39(48,49)50)38(47)34(23)30(43)18-25;1-2-3-4-5-20-6-11-32(47-19-20)21-7-9-25(28(37)15-21)23-17-30(39)33(31(40)18-23)36(45,46)48-24-8-10-26-22(14-24)16-29(38)27(34(26)41)12-13-35(42,43)44;1-2-3-4-5-19-17-46-33(47-18-19)20-6-8-24(27(36)13-20)22-15-29(38)31(30(39)16-22)35(44,45)48-23-7-9-25-21(12-23)14-28(37)26(32(25)40)10-11-34(41,42)43;1-2-3-4-18-16-45-32(46-17-18)19-5-7-23(26(35)12-19)21-14-28(37)30(29(38)15-21)34(43,44)47-22-6-8-24-20(11-22)13-27(36)25(31(24)39)9-10-33(40,41)42;1-16-2-7-28(43-15-16)17-3-5-21(24(33)11-17)19-13-26(35)29(27(36)14-19)32(41,42)44-20-4-6-22-18(10-20)12-25(34)23(30(22)37)8-9-31(38,39)40/h6-13,16-22H,2-5H2,1H3;6-9,12-19H,2-5H2,1H3;6-11,14-19H,2-5H2,1H3;6-9,12-18H,2-5H2,1H3;2,5-8,11-17H,1,3-4H2;2-7,10-15H,1H3.
What are the key properties of 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine?
5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine has a molecular weight of 4118.33 g/mol, XLogP of 66.18, 49 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine is sourced from PubChem (CID 158027309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).