2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine

C350H296F31N3O4 — CID 161292692

IUPAC2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine
SMILESCCCCCc1cc(F)c(/C(F)=C(\F)c2c(F)cc3cc(C#Cc4cc(F)c(-c5ccc(-c6ccc(C)cc6)cc5)cc4C)ccc3c2F)c(F)c1.CCCCCc1ccc(-c2ccc(-c3cc(C)c(C#Cc4cc(F)c(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(-c4ccc(CCc5ccc(CCCC)cc5)cc4)cc3C)cc2)c(F)c1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(CCc4ccc(-c5ccc(C)cc5)cc4)cc3OC)cc2)c(F)c1.CCCCCc1ccc(-c2ccc3cc(CCc4cc(C)c(C#Cc5ncc(-c6ccc(C)cc6)cn5)cc4F)ccc3c2)cc1.CCCCCc1ccc2cc(-c3ccc4cc(-c5cc(C)c(C#Cc6ccc(-c7ccc(OCCCC)cc7F)c(F)c6)cc5F)ccc4c3)ccc2c1.CCCCOc1ccc2cc(-c3ccc(C#Cc4c(F)cc(-c5cc(F)c(/C(F)=C(\F)c6c(F)cc(CCC)cc6F)c(F)c5)cc4OC)cc3)ccc2c1.CCCCc1ccc(-c2ccc3cc(-c4cc(C)c(C#Cc5ccc(-c6ccc(CCC)cn6)cc5)cc4F)ccc3c2)cc1
InChIInChI=1S/C50H43F3O.C46H35F7O2.C45H33F7.C44H44F2.C43H39FN2.C43H38FN.C41H38F2O.C38H26F8/c1-4-6-8-9-34-11-14-38-28-39(16-15-37(38)26-34)40-17-18-42-30-43(20-19-41(42)29-40)47-25-33(3)36(31-49(47)52)13-10-35-12-22-45(48(51)27-35)46-23-21-44(32-50(46)53)54-24-7-5-2;1-4-6-18-55-35-16-15-31-21-30(13-14-32(31)22-35)29-11-8-27(9-12-29)10-17-36-37(47)23-34(26-42(36)54-3)33-24-40(50)44(41(51)25-33)46(53)45(52)43-38(48)19-28(7-5-2)20-39(43)49;1-4-5-6-7-29-22-38(47)41(39(48)23-29)44(51)45(52)42-40(49)25-34-21-28(11-19-35(34)43(42)50)10-14-33-24-37(46)36(20-27(33)3)32-17-15-31(16-18-32)30-12-8-26(2)9-13-30;1-4-6-8-10-37-22-28-41(43(45)30-37)38-23-17-36(18-24-38)21-27-40-31-44(46)42(29-32(40)3)39-25-19-35(20-26-39)16-15-34-13-11-33(12-14-34)9-7-5-2;1-4-5-6-7-32-10-16-34(17-11-32)38-21-20-37-25-33(12-18-39(37)26-38)13-19-40-24-31(3)36(27-42(40)44)22-23-43-45-28-41(29-46-43)35-14-8-30(2)9-15-35;1-4-6-8-31-9-15-34(16-10-31)37-20-21-39-27-40(23-22-38(39)26-37)41-25-30(3)36(28-42(41)44)19-13-32-11-17-35(18-12-32)43-24-14-33(7-5-2)29-45-43;1-4-5-6-7-32-16-25-38(40(43)26-32)35-21-12-31(13-22-35)15-24-37-27-39(42)36(28-41(37)44-3)23-14-30-10-19-34(20-11-30)33-17-8-29(2)9-18-33;1-3-4-5-6-22-7-11-28(30(39)14-22)24-9-12-29(32(41)17-24)25-13-21(2)27(31(40)18-25)10-8-23-15-33(42)37(34(43)16-23)26-19-35(44)38(46)36(45)20-26/h11-12,14-23,25-32H,4-9,24H2,1-3H3;8-9,11-16,19-26H,4-7,18H2,1-3H3;8-9,11-13,15-25H,4-7H2,1-3H3;11-14,17-20,22-26,28-31H,4-10,15-16H2,1-3H3;8-12,14-18,20-21,24-29H,4-7,13,19H2,1-3H3;9-12,14-18,20-29H,4-8H2,1-3H3;8-13,16-22,25-28H,4-7,14,23H2,1-3H3;7,9,11-20H,3-6H2,1-2H3/b;46-45+;45-44+;;;;;
InChIKeyVGOIZHFYOJUNHK-HRMUBMCFSA-N
MW5197.17 g/mol
LogP96.25
Rot. Bonds76

About 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine

2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine (PubChem CID 161292692) has the molecular formula C350H296F31N3O4 and a molecular weight of 5197.17 g/mol. Its IUPAC name is 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine
PubChem CID161292692
Molecular FormulaC350H296F31N3O4
Molecular Weight5197.17 g/mol
Exact Mass5193.26
IUPAC Name2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine
SMILESCCCCCc1cc(F)c(/C(F)=C(\F)c2c(F)cc3cc(C#Cc4cc(F)c(-c5ccc(-c6ccc(C)cc6)cc5)cc4C)ccc3c2F)c(F)c1.CCCCCc1ccc(-c2ccc(-c3cc(C)c(C#Cc4cc(F)c(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(-c4ccc(CCc5ccc(CCCC)cc5)cc4)cc3C)cc2)c(F)c1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(CCc4ccc(-c5ccc(C)cc5)cc4)cc3OC)cc2)c(F)c1.CCCCCc1ccc(-c2ccc3cc(CCc4cc(C)c(C#Cc5ncc(-c6ccc(C)cc6)cn5)cc4F)ccc3c2)cc1.CCCCCc1ccc2cc(-c3ccc4cc(-c5cc(C)c(C#Cc6ccc(-c7ccc(OCCCC)cc7F)c(F)c6)cc5F)ccc4c3)ccc2c1.CCCCOc1ccc2cc(-c3ccc(C#Cc4c(F)cc(-c5cc(F)c(/C(F)=C(\F)c6c(F)cc(CCC)cc6F)c(F)c5)cc4OC)cc3)ccc2c1.CCCCc1ccc(-c2ccc3cc(-c4cc(C)c(C#Cc5ccc(-c6ccc(CCC)cn6)cc5)cc4F)ccc3c2)cc1
InChIInChI=1S/C50H43F3O.C46H35F7O2.C45H33F7.C44H44F2.C43H39FN2.C43H38FN.C41H38F2O.C38H26F8/c1-4-6-8-9-34-11-14-38-28-39(16-15-37(38)26-34)40-17-18-42-30-43(20-19-41(42)29-40)47-25-33(3)36(31-49(47)52)13-10-35-12-22-45(48(51)27-35)46-23-21-44(32-50(46)53)54-24-7-5-2;1-4-6-18-55-35-16-15-31-21-30(13-14-32(31)22-35)29-11-8-27(9-12-29)10-17-36-37(47)23-34(26-42(36)54-3)33-24-40(50)44(41(51)25-33)46(53)45(52)43-38(48)19-28(7-5-2)20-39(43)49;1-4-5-6-7-29-22-38(47)41(39(48)23-29)44(51)45(52)42-40(49)25-34-21-28(11-19-35(34)43(42)50)10-14-33-24-37(46)36(20-27(33)3)32-17-15-31(16-18-32)30-12-8-26(2)9-13-30;1-4-6-8-10-37-22-28-41(43(45)30-37)38-23-17-36(18-24-38)21-27-40-31-44(46)42(29-32(40)3)39-25-19-35(20-26-39)16-15-34-13-11-33(12-14-34)9-7-5-2;1-4-5-6-7-32-10-16-34(17-11-32)38-21-20-37-25-33(12-18-39(37)26-38)13-19-40-24-31(3)36(27-42(40)44)22-23-43-45-28-41(29-46-43)35-14-8-30(2)9-15-35;1-4-6-8-31-9-15-34(16-10-31)37-20-21-39-27-40(23-22-38(39)26-37)41-25-30(3)36(28-42(41)44)19-13-32-11-17-35(18-12-32)43-24-14-33(7-5-2)29-45-43;1-4-5-6-7-32-16-25-38(40(43)26-32)35-21-12-31(13-22-35)15-24-37-27-39(42)36(28-41(37)44-3)23-14-30-10-19-34(20-11-30)33-17-8-29(2)9-18-33;1-3-4-5-6-22-7-11-28(30(39)14-22)24-9-12-29(32(41)17-24)25-13-21(2)27(31(40)18-25)10-8-23-15-33(42)37(34(43)16-23)26-19-35(44)38(46)36(45)20-26/h11-12,14-23,25-32H,4-9,24H2,1-3H3;8-9,11-16,19-26H,4-7,18H2,1-3H3;8-9,11-13,15-25H,4-7H2,1-3H3;11-14,17-20,22-26,28-31H,4-10,15-16H2,1-3H3;8-12,14-18,20-21,24-29H,4-7,13,19H2,1-3H3;9-12,14-18,20-29H,4-8H2,1-3H3;8-13,16-22,25-28H,4-7,14,23H2,1-3H3;7,9,11-20H,3-6H2,1-2H3/b;46-45+;45-44+;;;;;
InChIKeyVGOIZHFYOJUNHK-HRMUBMCFSA-N
XLogP96.25
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds76
Heavy Atoms388
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005197.17
LogP ≤ 596.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine?
The IUPAC name of 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine (CID 161292692) is 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine?
The canonical SMILES for 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine is CCCCCc1cc(F)c(/C(F)=C(\F)c2c(F)cc3cc(C#Cc4cc(F)c(-c5ccc(-c6ccc(C)cc6)cc5)cc4C)ccc3c2F)c(F)c1.CCCCCc1ccc(-c2ccc(-c3cc(C)c(C#Cc4cc(F)c(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(-c4ccc(CCc5ccc(CCCC)cc5)cc4)cc3C)cc2)c(F)c1.CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(CCc4ccc(-c5ccc(C)cc5)cc4)cc3OC)cc2)c(F)c1.CCCCCc1ccc(-c2ccc3cc(CCc4cc(C)c(C#Cc5ncc(-c6ccc(C)cc6)cn5)cc4F)ccc3c2)cc1.CCCCCc1ccc2cc(-c3ccc4cc(-c5cc(C)c(C#Cc6ccc(-c7ccc(OCCCC)cc7F)c(F)c6)cc5F)ccc4c3)ccc2c1.CCCCOc1ccc2cc(-c3ccc(C#Cc4c(F)cc(-c5cc(F)c(/C(F)=C(\F)c6c(F)cc(CCC)cc6F)c(F)c5)cc4OC)cc3)ccc2c1.CCCCc1ccc(-c2ccc3cc(-c4cc(C)c(C#Cc5ccc(-c6ccc(CCC)cn6)cc5)cc4F)ccc3c2)cc1.
What is the InChIKey of 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine?
The InChIKey is VGOIZHFYOJUNHK-HRMUBMCFSA-N. The full InChI is InChI=1S/C50H43F3O.C46H35F7O2.C45H33F7.C44H44F2.C43H39FN2.C43H38FN.C41H38F2O.C38H26F8/c1-4-6-8-9-34-11-14-38-28-39(16-15-37(38)26-34)40-17-18-42-30-43(20-19-41(42)29-40)47-25-33(3)36(31-49(47)52)13-10-35-12-22-45(48(51)27-35)46-23-21-44(32-50(46)53)54-24-7-5-2;1-4-6-18-55-35-16-15-31-21-30(13-14-32(31)22-35)29-11-8-27(9-12-29)10-17-36-37(47)23-34(26-42(36)54-3)33-24-40(50)44(41(51)25-33)46(53)45(52)43-38(48)19-28(7-5-2)20-39(43)49;1-4-5-6-7-29-22-38(47)41(39(48)23-29)44(51)45(52)42-40(49)25-34-21-28(11-19-35(34)43(42)50)10-14-33-24-37(46)36(20-27(33)3)32-17-15-31(16-18-32)30-12-8-26(2)9-13-30;1-4-6-8-10-37-22-28-41(43(45)30-37)38-23-17-36(18-24-38)21-27-40-31-44(46)42(29-32(40)3)39-25-19-35(20-26-39)16-15-34-13-11-33(12-14-34)9-7-5-2;1-4-5-6-7-32-10-16-34(17-11-32)38-21-20-37-25-33(12-18-39(37)26-38)13-19-40-24-31(3)36(27-42(40)44)22-23-43-45-28-41(29-46-43)35-14-8-30(2)9-15-35;1-4-6-8-31-9-15-34(16-10-31)37-20-21-39-27-40(23-22-38(39)26-37)41-25-30(3)36(28-42(41)44)19-13-32-11-17-35(18-12-32)43-24-14-33(7-5-2)29-45-43;1-4-5-6-7-32-16-25-38(40(43)26-32)35-21-12-31(13-22-35)15-24-37-27-39(42)36(28-41(37)44-3)23-14-30-10-19-34(20-11-30)33-17-8-29(2)9-18-33;1-3-4-5-6-22-7-11-28(30(39)14-22)24-9-12-29(32(41)17-24)25-13-21(2)27(31(40)18-25)10-8-23-15-33(42)37(34(43)16-23)26-19-35(44)38(46)36(45)20-26/h11-12,14-23,25-32H,4-9,24H2,1-3H3;8-9,11-16,19-26H,4-7,18H2,1-3H3;8-9,11-13,15-25H,4-7H2,1-3H3;11-14,17-20,22-26,28-31H,4-10,15-16H2,1-3H3;8-12,14-18,20-21,24-29H,4-7,13,19H2,1-3H3;9-12,14-18,20-29H,4-8H2,1-3H3;8-13,16-22,25-28H,4-7,14,23H2,1-3H3;7,9,11-20H,3-6H2,1-2H3/b;46-45+;45-44+;;;;;.
What are the key properties of 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine?
2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine has a molecular weight of 5197.17 g/mol, XLogP of 96.25, 76 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-[4-[2-[4-[4-[(E)-2-(2,6-difluoro-4-propylphenyl)-1,2-difluoroethenyl]-3,5-difluorophenyl]-2-fluoro-6-methoxyphenyl]ethynyl]phenyl]naphthalene;2-[4-[2-[4-(4-butoxy-2-fluorophenyl)-3-fluorophenyl]ethynyl]-2-fluoro-5-methylphenyl]-6-(6-pentylnaphthalen-2-yl)naphthalene;1-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-fluoro-4-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-5-methylbenzene;2-[4-[2-[4-[6-(4-butylphenyl)naphthalen-2-yl]-5-fluoro-2-methylphenyl]ethynyl]phenyl]-5-propylpyridine;1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]-2-(3,4,5-trifluorophenyl)benzene;2-[(E)-2-(2,6-difluoro-4-pentylphenyl)-1,2-difluoroethenyl]-1,3-difluoro-6-[2-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]naphthalene;1-fluoro-5-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]-4-methoxy-2-[2-[4-(4-methylphenyl)phenyl]ethyl]benzene;2-[2-[5-fluoro-2-methyl-4-[2-[6-(4-pentylphenyl)naphthalen-2-yl]ethyl]phenyl]ethynyl]-5-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 161292692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).