2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane

C307H295F67O28 — CID 157238259

IUPAC2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane
SMILESCCCCCC1CCC(c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)CC1.CCCCCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)c(F)c3)c(F)c2)CC1.CCCCCC1COC(c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)OC1.CCCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)cc3)c(F)c2)OC1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3CCC(C4CCC(c5cc(F)c(F)c(F)c5)CC4)CC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3CCC(C4CCC(c5ccc(F)c(F)c5)CC4)CC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5ccc(OC(F)(F)F)c(F)c5)cc4)OC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)cc3)c(F)c2)cc1
InChIInChI=1S/C36H39F7O.C36H40F6O.C35H30F8O4.2C34H34F8O3.C34H28F8O3.C34H29F7O3.C32H30F8O5.C32H31F7O5/c1-2-3-4-5-22-6-8-25(9-7-22)27-18-30(37)34(31(38)19-27)36(42,43)44-29-16-14-24(15-17-29)23-10-12-26(13-11-23)28-20-32(39)35(41)33(40)21-28;1-2-3-4-5-23-6-8-27(9-7-23)29-21-33(39)35(34(40)22-29)36(41,42)43-30-17-14-25(15-18-30)24-10-12-26(13-11-24)28-16-19-31(37)32(38)20-28;1-2-3-4-5-21-6-8-23(9-7-21)26-17-29(37)32(30(38)18-26)34(39,40)46-27-19-44-33(45-20-27)24-12-10-22(11-13-24)25-14-15-31(28(36)16-25)47-35(41,42)43;1-2-3-4-5-19-6-8-20(9-7-19)21-12-27(36)31(28(37)13-21)34(41,42)45-24-10-11-25(26(35)16-24)23-17-43-33(44-18-23)22-14-29(38)32(40)30(39)15-22;2*1-2-3-4-5-19-6-8-20(9-7-19)22-13-27(36)31(28(37)14-22)34(41,42)45-24-17-43-33(44-18-24)21-10-11-25(26(35)12-21)23-15-29(38)32(40)30(39)16-23;1-2-3-4-5-20-6-8-21(9-7-20)23-14-27(35)31(28(36)15-23)34(40,41)44-26-12-10-22(11-13-26)25-18-42-33(43-19-25)24-16-29(37)32(39)30(38)17-24;1-2-3-4-5-17-13-41-31(42-14-17)20-11-24(34)28(25(35)12-20)32(39,40)45-21-15-43-30(44-16-21)18-6-7-22(23(33)8-18)19-9-26(36)29(38)27(37)10-19;1-2-3-4-5-18-14-40-30(41-15-18)20-10-24(33)28(25(34)11-20)32(38,39)44-23-8-6-19(7-9-23)22-16-42-31(43-17-22)21-12-26(35)29(37)27(36)13-21/h6-9,18-21,23-24,26,29H,2-5,10-17H2,1H3;6-9,16,19-22,24-26,30H,2-5,10-15,17-18H2,1H3;6-18,27,33H,2-5,19-20H2,1H3;10-16,19-20,23,33H,2-9,17-18H2,1H3;10-16,19-20,24,33H,2-9,17-18H2,1H3;6-16,24,33H,2-5,17-18H2,1H3;6-17,25,33H,2-5,18-19H2,1H3;6-12,17,21,30-31H,2-5,13-16H2,1H3;6-13,18,22,30-31H,2-5,14-17H2,1H3
InChIKeyAUXAMTDGMJCYAJ-UHFFFAOYSA-N
MW5705.58 g/mol
LogP90.13
Rot. Bonds91

About 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane

2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane (PubChem CID 157238259) has the molecular formula C307H295F67O28 and a molecular weight of 5705.58 g/mol. Its IUPAC name is 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane
PubChem CID157238259
Molecular FormulaC307H295F67O28
Molecular Weight5705.58 g/mol
Exact Mass5702.06
IUPAC Name2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane
SMILESCCCCCC1CCC(c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)CC1.CCCCCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)c(F)c3)c(F)c2)CC1.CCCCCC1COC(c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)OC1.CCCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)cc3)c(F)c2)OC1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3CCC(C4CCC(c5cc(F)c(F)c(F)c5)CC4)CC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3CCC(C4CCC(c5ccc(F)c(F)c5)CC4)CC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5ccc(OC(F)(F)F)c(F)c5)cc4)OC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)cc3)c(F)c2)cc1
InChIInChI=1S/C36H39F7O.C36H40F6O.C35H30F8O4.2C34H34F8O3.C34H28F8O3.C34H29F7O3.C32H30F8O5.C32H31F7O5/c1-2-3-4-5-22-6-8-25(9-7-22)27-18-30(37)34(31(38)19-27)36(42,43)44-29-16-14-24(15-17-29)23-10-12-26(13-11-23)28-20-32(39)35(41)33(40)21-28;1-2-3-4-5-23-6-8-27(9-7-23)29-21-33(39)35(34(40)22-29)36(41,42)43-30-17-14-25(15-18-30)24-10-12-26(13-11-24)28-16-19-31(37)32(38)20-28;1-2-3-4-5-21-6-8-23(9-7-21)26-17-29(37)32(30(38)18-26)34(39,40)46-27-19-44-33(45-20-27)24-12-10-22(11-13-24)25-14-15-31(28(36)16-25)47-35(41,42)43;1-2-3-4-5-19-6-8-20(9-7-19)21-12-27(36)31(28(37)13-21)34(41,42)45-24-10-11-25(26(35)16-24)23-17-43-33(44-18-23)22-14-29(38)32(40)30(39)15-22;2*1-2-3-4-5-19-6-8-20(9-7-19)22-13-27(36)31(28(37)14-22)34(41,42)45-24-17-43-33(44-18-24)21-10-11-25(26(35)12-21)23-15-29(38)32(40)30(39)16-23;1-2-3-4-5-20-6-8-21(9-7-20)23-14-27(35)31(28(36)15-23)34(40,41)44-26-12-10-22(11-13-26)25-18-42-33(43-19-25)24-16-29(37)32(39)30(38)17-24;1-2-3-4-5-17-13-41-31(42-14-17)20-11-24(34)28(25(35)12-20)32(39,40)45-21-15-43-30(44-16-21)18-6-7-22(23(33)8-18)19-9-26(36)29(38)27(37)10-19;1-2-3-4-5-18-14-40-30(41-15-18)20-10-24(33)28(25(34)11-20)32(38,39)44-23-8-6-19(7-9-23)22-16-42-31(43-17-22)21-12-26(35)29(37)27(36)13-21/h6-9,18-21,23-24,26,29H,2-5,10-17H2,1H3;6-9,16,19-22,24-26,30H,2-5,10-15,17-18H2,1H3;6-18,27,33H,2-5,19-20H2,1H3;10-16,19-20,23,33H,2-9,17-18H2,1H3;10-16,19-20,24,33H,2-9,17-18H2,1H3;6-16,24,33H,2-5,17-18H2,1H3;6-17,25,33H,2-5,18-19H2,1H3;6-12,17,21,30-31H,2-5,13-16H2,1H3;6-13,18,22,30-31H,2-5,14-17H2,1H3
InChIKeyAUXAMTDGMJCYAJ-UHFFFAOYSA-N
XLogP90.13
TPSA258.44 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds91
Heavy Atoms402
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005705.58
LogP ≤ 590.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane with MolForge

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What is the IUPAC name of 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane?
The IUPAC name of 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane (CID 157238259) is 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane.
What is the SMILES notation for 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane?
The canonical SMILES for 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane is CCCCCC1CCC(c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)CC1.CCCCCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)c(F)c3)c(F)c2)CC1.CCCCCC1COC(c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)OC1.CCCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)cc3)c(F)c2)OC1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3CCC(C4CCC(c5cc(F)c(F)c(F)c5)CC4)CC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3CCC(C4CCC(c5ccc(F)c(F)c5)CC4)CC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)OC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)OC3COC(c4ccc(-c5ccc(OC(F)(F)F)c(F)c5)cc4)OC3)c(F)c2)cc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C4COC(c5cc(F)c(F)c(F)c5)OC4)cc3)c(F)c2)cc1.
What is the InChIKey of 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane?
The InChIKey is AUXAMTDGMJCYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39F7O.C36H40F6O.C35H30F8O4.2C34H34F8O3.C34H28F8O3.C34H29F7O3.C32H30F8O5.C32H31F7O5/c1-2-3-4-5-22-6-8-25(9-7-22)27-18-30(37)34(31(38)19-27)36(42,43)44-29-16-14-24(15-17-29)23-10-12-26(13-11-23)28-20-32(39)35(41)33(40)21-28;1-2-3-4-5-23-6-8-27(9-7-23)29-21-33(39)35(34(40)22-29)36(41,42)43-30-17-14-25(15-18-30)24-10-12-26(13-11-24)28-16-19-31(37)32(38)20-28;1-2-3-4-5-21-6-8-23(9-7-21)26-17-29(37)32(30(38)18-26)34(39,40)46-27-19-44-33(45-20-27)24-12-10-22(11-13-24)25-14-15-31(28(36)16-25)47-35(41,42)43;1-2-3-4-5-19-6-8-20(9-7-19)21-12-27(36)31(28(37)13-21)34(41,42)45-24-10-11-25(26(35)16-24)23-17-43-33(44-18-23)22-14-29(38)32(40)30(39)15-22;2*1-2-3-4-5-19-6-8-20(9-7-19)22-13-27(36)31(28(37)14-22)34(41,42)45-24-17-43-33(44-18-24)21-10-11-25(26(35)12-21)23-15-29(38)32(40)30(39)16-23;1-2-3-4-5-20-6-8-21(9-7-20)23-14-27(35)31(28(36)15-23)34(40,41)44-26-12-10-22(11-13-26)25-18-42-33(43-19-25)24-16-29(37)32(39)30(38)17-24;1-2-3-4-5-17-13-41-31(42-14-17)20-11-24(34)28(25(35)12-20)32(39,40)45-21-15-43-30(44-16-21)18-6-7-22(23(33)8-18)19-9-26(36)29(38)27(37)10-19;1-2-3-4-5-18-14-40-30(41-15-18)20-10-24(33)28(25(34)11-20)32(38,39)44-23-8-6-19(7-9-23)22-16-42-31(43-17-22)21-12-26(35)29(37)27(36)13-21/h6-9,18-21,23-24,26,29H,2-5,10-17H2,1H3;6-9,16,19-22,24-26,30H,2-5,10-15,17-18H2,1H3;6-18,27,33H,2-5,19-20H2,1H3;10-16,19-20,23,33H,2-9,17-18H2,1H3;10-16,19-20,24,33H,2-9,17-18H2,1H3;6-16,24,33H,2-5,17-18H2,1H3;6-17,25,33H,2-5,18-19H2,1H3;6-12,17,21,30-31H,2-5,13-16H2,1H3;6-13,18,22,30-31H,2-5,14-17H2,1H3.
What are the key properties of 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane?
2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane has a molecular weight of 5705.58 g/mol, XLogP of 90.13, 91 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[difluoro-[[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-yl]oxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane;5-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[4-[[2,6-difluoro-4-(4-pentylphenyl)phenyl]-difluoromethoxy]phenyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;2-[[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[difluoro-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[difluoro-[4-[2-(3,4,5-trifluorophenyl)-1,3-dioxan-5-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane is sourced from PubChem (CID 157238259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).