[4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene

C237H233F49O14S — CID 160728145

IUPAC[4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene
SMILESC=CC(CCOc1cc(F)c(CCC2CCC(c3cc(F)c(S(F)(F)(F)(F)F)c(F)c3)CC2)c(F)c1)CCOc1cc(F)c(OCC2CCC(c3cc(F)c(C)c(F)c3)CC2)c(F)c1.CCCC1CCC(C2CCC(c3ccc(OCCC(CCOc4ccc(C5CCC(C6CCC(CCC)CC6)CC5)c(F)c4F)C(F)(F)F)c(F)c3F)CC2)CC1.CCCc1ccc(-c2ccc(-c3ccc(OCCC(C)CCOc4ccc(-c5ccc(-c6ccc(CCC)cc6)c(F)c5F)cc4)cc3)c(F)c2F)cc1.CCOc1ccc(-c2ccc(CCc3ccc(OCCC(C)CCOc4ccc(CCc5ccc(-c6ccc(C)c(F)c6F)c(F)c5C(F)(F)F)cc4)cc3)c(C)c2F)c(F)c1F.Fc1cc(OC(F)(F)c2ccc(-c3ccc(OCCC(F)(F)CCOc4ccc(-c5ccc(C(F)(F)Oc6cc(F)c(F)c(F)c6)c(F)c5F)cc4)cc3)c(F)c2F)cc(F)c1F
InChIInChI=1S/C51H47F9O3.C48H67F7O2.C48H46F4O2.C47H49F13O3S.C43H24F16O4/c1-5-61-43-25-24-42(49(56)50(43)57)39-22-15-35(32(4)46(39)53)13-7-33-9-17-37(18-10-33)62-28-26-30(2)27-29-63-38-19-11-34(12-20-38)8-14-36-16-23-40(47(54)44(36)51(58,59)60)41-21-6-31(3)45(52)48(41)55;1-3-5-31-7-11-33(12-8-31)35-15-19-37(20-16-35)40-23-25-42(46(51)44(40)49)56-29-27-39(48(53,54)55)28-30-57-43-26-24-41(45(50)47(43)52)38-21-17-36(18-22-38)34-13-9-32(6-4-2)10-14-34;1-4-6-33-8-12-35(13-9-33)41-24-26-43(47(51)45(41)49)37-16-20-39(21-17-37)53-30-28-32(3)29-31-54-40-22-18-38(19-23-40)44-27-25-42(46(50)48(44)52)36-14-10-34(7-5-2)11-15-36;1-3-28(15-17-62-36-24-42(52)46(43(53)25-36)63-26-30-6-11-32(12-7-30)33-18-38(48)27(2)39(49)19-33)14-16-61-35-22-40(50)37(41(51)23-35)13-8-29-4-9-31(10-5-29)34-20-44(54)47(45(55)21-34)64(56,57,58,59)60;44-31-17-25(18-32(45)39(31)52)62-42(56,57)29-11-9-27(35(48)37(29)50)21-1-5-23(6-2-21)60-15-13-41(54,55)14-16-61-24-7-3-22(4-8-24)28-10-12-30(38(51)36(28)49)43(58,59)63-26-19-33(46)40(53)34(47)20-26/h6,9-12,15-25,30H,5,7-8,13-14,26-29H2,1-4H3;23-26,31-39H,3-22,27-30H2,1-2H3;8-27,32H,4-7,28-31H2,1-3H3;3,18-25,28-32H,1,4-17,26H2,2H3;1-12,17-20H,13-16H2
InChIKeyRTZBVJQPNCYSCF-UHFFFAOYSA-N
MW4268.43 g/mol
LogP73.05
Rot. Bonds84

About [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene

[4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene (PubChem CID 160728145) has the molecular formula C237H233F49O14S and a molecular weight of 4268.43 g/mol. Its IUPAC name is [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name[4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene
PubChem CID160728145
Molecular FormulaC237H233F49O14S
Molecular Weight4268.43 g/mol
Exact Mass4265.65
IUPAC Name[4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene
SMILESC=CC(CCOc1cc(F)c(CCC2CCC(c3cc(F)c(S(F)(F)(F)(F)F)c(F)c3)CC2)c(F)c1)CCOc1cc(F)c(OCC2CCC(c3cc(F)c(C)c(F)c3)CC2)c(F)c1.CCCC1CCC(C2CCC(c3ccc(OCCC(CCOc4ccc(C5CCC(C6CCC(CCC)CC6)CC5)c(F)c4F)C(F)(F)F)c(F)c3F)CC2)CC1.CCCc1ccc(-c2ccc(-c3ccc(OCCC(C)CCOc4ccc(-c5ccc(-c6ccc(CCC)cc6)c(F)c5F)cc4)cc3)c(F)c2F)cc1.CCOc1ccc(-c2ccc(CCc3ccc(OCCC(C)CCOc4ccc(CCc5ccc(-c6ccc(C)c(F)c6F)c(F)c5C(F)(F)F)cc4)cc3)c(C)c2F)c(F)c1F.Fc1cc(OC(F)(F)c2ccc(-c3ccc(OCCC(F)(F)CCOc4ccc(-c5ccc(C(F)(F)Oc6cc(F)c(F)c(F)c6)c(F)c5F)cc4)cc3)c(F)c2F)cc(F)c1F
InChIInChI=1S/C51H47F9O3.C48H67F7O2.C48H46F4O2.C47H49F13O3S.C43H24F16O4/c1-5-61-43-25-24-42(49(56)50(43)57)39-22-15-35(32(4)46(39)53)13-7-33-9-17-37(18-10-33)62-28-26-30(2)27-29-63-38-19-11-34(12-20-38)8-14-36-16-23-40(47(54)44(36)51(58,59)60)41-21-6-31(3)45(52)48(41)55;1-3-5-31-7-11-33(12-8-31)35-15-19-37(20-16-35)40-23-25-42(46(51)44(40)49)56-29-27-39(48(53,54)55)28-30-57-43-26-24-41(45(50)47(43)52)38-21-17-36(18-22-38)34-13-9-32(6-4-2)10-14-34;1-4-6-33-8-12-35(13-9-33)41-24-26-43(47(51)45(41)49)37-16-20-39(21-17-37)53-30-28-32(3)29-31-54-40-22-18-38(19-23-40)44-27-25-42(46(50)48(44)52)36-14-10-34(7-5-2)11-15-36;1-3-28(15-17-62-36-24-42(52)46(43(53)25-36)63-26-30-6-11-32(12-7-30)33-18-38(48)27(2)39(49)19-33)14-16-61-35-22-40(50)37(41(51)23-35)13-8-29-4-9-31(10-5-29)34-20-44(54)47(45(55)21-34)64(56,57,58,59)60;44-31-17-25(18-32(45)39(31)52)62-42(56,57)29-11-9-27(35(48)37(29)50)21-1-5-23(6-2-21)60-15-13-41(54,55)14-16-61-24-7-3-22(4-8-24)28-10-12-30(38(51)36(28)49)43(58,59)63-26-19-33(46)40(53)34(47)20-26/h6,9-12,15-25,30H,5,7-8,13-14,26-29H2,1-4H3;23-26,31-39H,3-22,27-30H2,1-2H3;8-27,32H,4-7,28-31H2,1-3H3;3,18-25,28-32H,1,4-17,26H2,2H3;1-12,17-20H,13-16H2
InChIKeyRTZBVJQPNCYSCF-UHFFFAOYSA-N
XLogP73.05
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds84
Heavy Atoms301
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004268.43
LogP ≤ 573.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene?
The IUPAC name of [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene (CID 160728145) is [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene.
What is the SMILES notation for [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene?
The canonical SMILES for [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene is C=CC(CCOc1cc(F)c(CCC2CCC(c3cc(F)c(S(F)(F)(F)(F)F)c(F)c3)CC2)c(F)c1)CCOc1cc(F)c(OCC2CCC(c3cc(F)c(C)c(F)c3)CC2)c(F)c1.CCCC1CCC(C2CCC(c3ccc(OCCC(CCOc4ccc(C5CCC(C6CCC(CCC)CC6)CC5)c(F)c4F)C(F)(F)F)c(F)c3F)CC2)CC1.CCCc1ccc(-c2ccc(-c3ccc(OCCC(C)CCOc4ccc(-c5ccc(-c6ccc(CCC)cc6)c(F)c5F)cc4)cc3)c(F)c2F)cc1.CCOc1ccc(-c2ccc(CCc3ccc(OCCC(C)CCOc4ccc(CCc5ccc(-c6ccc(C)c(F)c6F)c(F)c5C(F)(F)F)cc4)cc3)c(C)c2F)c(F)c1F.Fc1cc(OC(F)(F)c2ccc(-c3ccc(OCCC(F)(F)CCOc4ccc(-c5ccc(C(F)(F)Oc6cc(F)c(F)c(F)c6)c(F)c5F)cc4)cc3)c(F)c2F)cc(F)c1F.
What is the InChIKey of [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene?
The InChIKey is RTZBVJQPNCYSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47F9O3.C48H67F7O2.C48H46F4O2.C47H49F13O3S.C43H24F16O4/c1-5-61-43-25-24-42(49(56)50(43)57)39-22-15-35(32(4)46(39)53)13-7-33-9-17-37(18-10-33)62-28-26-30(2)27-29-63-38-19-11-34(12-20-38)8-14-36-16-23-40(47(54)44(36)51(58,59)60)41-21-6-31(3)45(52)48(41)55;1-3-5-31-7-11-33(12-8-31)35-15-19-37(20-16-35)40-23-25-42(46(51)44(40)49)56-29-27-39(48(53,54)55)28-30-57-43-26-24-41(45(50)47(43)52)38-21-17-36(18-22-38)34-13-9-32(6-4-2)10-14-34;1-4-6-33-8-12-35(13-9-33)41-24-26-43(47(51)45(41)49)37-16-20-39(21-17-37)53-30-28-32(3)29-31-54-40-22-18-38(19-23-40)44-27-25-42(46(50)48(44)52)36-14-10-34(7-5-2)11-15-36;1-3-28(15-17-62-36-24-42(52)46(43(53)25-36)63-26-30-6-11-32(12-7-30)33-18-38(48)27(2)39(49)19-33)14-16-61-35-22-40(50)37(41(51)23-35)13-8-29-4-9-31(10-5-29)34-20-44(54)47(45(55)21-34)64(56,57,58,59)60;44-31-17-25(18-32(45)39(31)52)62-42(56,57)29-11-9-27(35(48)37(29)50)21-1-5-23(6-2-21)60-15-13-41(54,55)14-16-61-24-7-3-22(4-8-24)28-10-12-30(38(51)36(28)49)43(58,59)63-26-19-33(46)40(53)34(47)20-26/h6,9-12,15-25,30H,5,7-8,13-14,26-29H2,1-4H3;23-26,31-39H,3-22,27-30H2,1-2H3;8-27,32H,4-7,28-31H2,1-3H3;3,18-25,28-32H,1,4-17,26H2,2H3;1-12,17-20H,13-16H2.
What are the key properties of [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene?
[4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene has a molecular weight of 4268.43 g/mol, XLogP of 73.05, 84 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[4-[3-[2-[4-[[4-(3,5-difluoro-4-methylphenyl)cyclohexyl]methoxy]-3,5-difluorophenoxy]ethyl]pent-4-enoxy]-2,6-difluorophenyl]ethyl]cyclohexyl]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane;1-[4-[2-[4-[5-[4-[2-[4-(2,3-difluoro-4-methylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]ethyl]phenoxy]-3-methylpentoxy]phenyl]ethyl]-2-fluoro-3-methylphenyl]-4-ethoxy-2,3-difluorobenzene;1-[5-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]-3-(trifluoromethyl)pentoxy]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-[5-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenoxy]-3-methylpentoxy]phenyl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]phenoxy]-3,3-difluoropentoxy]phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 160728145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).