5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine

C252H218F49N3O3 — CID 157189019

IUPAC5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine
SMILESC=CCCC1CCC(C2COC(c3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)OC2)CC1.CCCCC1CCC(c2cnc(-c3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)nc2)CC1.CCCCCC1CCC(C2CCC(c3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)OC2)CC1.CCCCCC1CCC(c2ccc(-c3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)nc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc4c(F)c(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)ccc4c3)c(F)c2)CC1.CCCCCC1CCC(c2ccc3c(F)c(-c4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)CC1
InChIInChI=1S/C40H32F8.C40H33F7.C36H30F8.C35H35F7O.C35H31F6N.C33H29F7O2.C33H28F6N2/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-14-32-28(18-25)22-36(43)37(39(32)45)27-12-13-30(34(41)20-27)26-11-15-31-29(19-26)21-35(42)33(38(31)44)16-17-40(46,47)48;1-2-3-4-5-24-6-8-25(9-7-24)26-10-14-31(36(41)22-26)27-11-15-32-28(20-27)12-16-33(38(32)43)29-13-17-34-30(21-29)23-37(42)35(39(34)44)18-19-40(45,46)47;1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-27(30(37)17-23)26-19-32(39)34(33(40)20-26)24-11-13-28-25(16-24)18-31(38)29(35(28)41)14-15-36(42,43)44;1-2-3-4-5-21-6-8-22(9-7-21)24-11-13-32(43-20-24)26-18-30(37)33(31(38)19-26)23-10-12-27-25(16-23)17-29(36)28(34(27)39)14-15-35(40,41)42;1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-15-32(42-21-26)27-18-28-20-30(36)29(16-17-35(39,40)41)34(38)33(28)31(37)19-27;1-2-3-4-19-5-7-20(8-6-19)24-17-41-32(42-18-24)21-9-10-25(27(34)14-21)22-13-23-16-28(35)26(11-12-33(38,39)40)31(37)30(23)29(36)15-22;1-2-3-4-20-5-7-21(8-6-20)25-18-40-32(41-19-25)23-10-11-26(29(34)16-23)22-9-12-27-24(15-22)17-30(35)28(31(27)36)13-14-33(37,38)39/h10-15,18-24H,2-9H2,1H3;10-17,20-25H,2-9H2,1H3;10-13,16-22H,2-9H2,1H3;10,12,16-19,21-22,24,32H,2-9,11,13,20H2,1H3;10-15,18-23H,2-9H2,1H3;2,9-10,13-16,19-20,24,32H,1,3-8,17-18H2;9-12,15-21H,2-8H2,1H3
InChIKeyAPLYGSUBDVCUPL-UHFFFAOYSA-N
MW4267.44 g/mol
LogP77.83
Rot. Bonds47

About 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine

5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine (PubChem CID 157189019) has the molecular formula C252H218F49N3O3 and a molecular weight of 4267.44 g/mol. Its IUPAC name is 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine
PubChem CID157189019
Molecular FormulaC252H218F49N3O3
Molecular Weight4267.44 g/mol
Exact Mass4264.62
IUPAC Name5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine
SMILESC=CCCC1CCC(C2COC(c3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)OC2)CC1.CCCCC1CCC(c2cnc(-c3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)nc2)CC1.CCCCCC1CCC(C2CCC(c3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)OC2)CC1.CCCCCC1CCC(c2ccc(-c3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)nc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc4c(F)c(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)ccc4c3)c(F)c2)CC1.CCCCCC1CCC(c2ccc3c(F)c(-c4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)CC1
InChIInChI=1S/C40H32F8.C40H33F7.C36H30F8.C35H35F7O.C35H31F6N.C33H29F7O2.C33H28F6N2/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-14-32-28(18-25)22-36(43)37(39(32)45)27-12-13-30(34(41)20-27)26-11-15-31-29(19-26)21-35(42)33(38(31)44)16-17-40(46,47)48;1-2-3-4-5-24-6-8-25(9-7-24)26-10-14-31(36(41)22-26)27-11-15-32-28(20-27)12-16-33(38(32)43)29-13-17-34-30(21-29)23-37(42)35(39(34)44)18-19-40(45,46)47;1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-27(30(37)17-23)26-19-32(39)34(33(40)20-26)24-11-13-28-25(16-24)18-31(38)29(35(28)41)14-15-36(42,43)44;1-2-3-4-5-21-6-8-22(9-7-21)24-11-13-32(43-20-24)26-18-30(37)33(31(38)19-26)23-10-12-27-25(16-23)17-29(36)28(34(27)39)14-15-35(40,41)42;1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-15-32(42-21-26)27-18-28-20-30(36)29(16-17-35(39,40)41)34(38)33(28)31(37)19-27;1-2-3-4-19-5-7-20(8-6-19)24-17-41-32(42-18-24)21-9-10-25(27(34)14-21)22-13-23-16-28(35)26(11-12-33(38,39)40)31(37)30(23)29(36)15-22;1-2-3-4-20-5-7-21(8-6-20)25-18-40-32(41-19-25)23-10-11-26(29(34)16-23)22-9-12-27-24(15-22)17-30(35)28(31(27)36)13-14-33(37,38)39/h10-15,18-24H,2-9H2,1H3;10-17,20-25H,2-9H2,1H3;10-13,16-22H,2-9H2,1H3;10,12,16-19,21-22,24,32H,2-9,11,13,20H2,1H3;10-15,18-23H,2-9H2,1H3;2,9-10,13-16,19-20,24,32H,1,3-8,17-18H2;9-12,15-21H,2-8H2,1H3
InChIKeyAPLYGSUBDVCUPL-UHFFFAOYSA-N
XLogP77.83
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds47
Heavy Atoms307
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004267.44
LogP ≤ 577.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine?
The IUPAC name of 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine (CID 157189019) is 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine.
What is the SMILES notation for 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine?
The canonical SMILES for 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine is C=CCCC1CCC(C2COC(c3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)OC2)CC1.CCCCC1CCC(c2cnc(-c3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)nc2)CC1.CCCCCC1CCC(C2CCC(c3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)OC2)CC1.CCCCCC1CCC(c2ccc(-c3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)nc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc4c(F)c(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)ccc4c3)c(F)c2)CC1.CCCCCC1CCC(c2ccc3c(F)c(-c4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)CC1.
What is the InChIKey of 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine?
The InChIKey is APLYGSUBDVCUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32F8.C40H33F7.C36H30F8.C35H35F7O.C35H31F6N.C33H29F7O2.C33H28F6N2/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-14-32-28(18-25)22-36(43)37(39(32)45)27-12-13-30(34(41)20-27)26-11-15-31-29(19-26)21-35(42)33(38(31)44)16-17-40(46,47)48;1-2-3-4-5-24-6-8-25(9-7-24)26-10-14-31(36(41)22-26)27-11-15-32-28(20-27)12-16-33(38(32)43)29-13-17-34-30(21-29)23-37(42)35(39(34)44)18-19-40(45,46)47;1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-27(30(37)17-23)26-19-32(39)34(33(40)20-26)24-11-13-28-25(16-24)18-31(38)29(35(28)41)14-15-36(42,43)44;1-2-3-4-5-21-6-8-22(9-7-21)24-11-13-32(43-20-24)26-18-30(37)33(31(38)19-26)23-10-12-27-25(16-23)17-29(36)28(34(27)39)14-15-35(40,41)42;1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-15-32(42-21-26)27-18-28-20-30(36)29(16-17-35(39,40)41)34(38)33(28)31(37)19-27;1-2-3-4-19-5-7-20(8-6-19)24-17-41-32(42-18-24)21-9-10-25(27(34)14-21)22-13-23-16-28(35)26(11-12-33(38,39)40)31(37)30(23)29(36)15-22;1-2-3-4-20-5-7-21(8-6-20)25-18-40-32(41-19-25)23-10-11-26(29(34)16-23)22-9-12-27-24(15-22)17-30(35)28(31(27)36)13-14-33(37,38)39/h10-15,18-24H,2-9H2,1H3;10-17,20-25H,2-9H2,1H3;10-13,16-22H,2-9H2,1H3;10,12,16-19,21-22,24,32H,2-9,11,13,20H2,1H3;10-15,18-23H,2-9H2,1H3;2,9-10,13-16,19-20,24,32H,1,3-8,17-18H2;9-12,15-21H,2-8H2,1H3.
What are the key properties of 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine?
5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine has a molecular weight of 4267.44 g/mol, XLogP of 77.83, 47 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-but-3-enylcyclohexyl)-2-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenyl]-1,3-dioxane;5-(4-butylcyclohexyl)-2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]pyrimidine;1,3-difluoro-6-[1-fluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-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]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)oxane;2-[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenyl]-1,3-difluoro-6-(4-pentylcyclohexyl)naphthalene;5-[4-(4-pentylcyclohexyl)phenyl]-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]pyridine is sourced from PubChem (CID 157189019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).