[3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)

C359H396F16O106S8 — CID 158993384

IUPAC[3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4F)cc3)cc2)c(F)c1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4F)cc3)cc2)c(F)c1.C=C(C)C(=O)OCOc1ccc(CCC(=O)Oc2ccc(C(c3ccc(OC(=O)CCc4ccc(OCOC(=O)C(=C)C)cc4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4F)cc3)cc2)c(F)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4F)cc3)cc2)c(F)c1
InChIInChI=1S/C43H36F8O10.2C36H28F2O12S.2C36H30O12S.2C34H24F2O12S.2C34H26O12S.36CH4/c1-25(2)39(54)58-23-56-33-13-5-27(35(44)21-33)7-19-37(52)60-31-15-9-29(10-16-31)41(42(46,47)48,43(49,50)51)30-11-17-32(18-12-30)61-38(53)20-8-28-6-14-34(22-36(28)45)57-24-59-40(55)26(3)4;2*1-21(2)33(39)47-19-45-25-9-15-29(31(37)17-25)35(41)49-23-5-11-27(12-6-23)51(43,44)28-13-7-24(8-14-28)50-36(42)30-16-10-26(18-32(30)38)46-20-48-34(40)22(3)4;2*1-23(2)33(37)45-21-43-27-9-5-25(6-10-27)35(39)47-29-13-17-31(18-14-29)49(41,42)32-19-15-30(16-20-32)48-36(40)26-7-11-28(12-8-26)44-22-46-34(38)24(3)4;2*1-3-31(37)45-19-43-23-9-15-27(29(35)17-23)33(39)47-21-5-11-25(12-6-21)49(41,42)26-13-7-22(8-14-26)48-34(40)28-16-10-24(18-30(28)36)44-20-46-32(38)4-2;2*1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-6,9-18,21-22H,1,3,7-8,19-20,23-24H2,2,4H3;2*5-18H,1,3,19-20H2,2,4H3;2*5-20H,1,3,21-22H2,2,4H3;2*3-18H,1-2,19-20H2;2*3-20H,1-2,21-22H2;36*1H4
InChIKeyJQLCXXNRUPSMLD-UHFFFAOYSA-N
MW6967.52 g/mol
LogP77.21
Rot. Bonds130

About [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)

[3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate) (PubChem CID 158993384) has the molecular formula C359H396F16O106S8 and a molecular weight of 6967.52 g/mol. Its IUPAC name is [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate).

Molecular Properties

Compound Name[3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)
PubChem CID158993384
Molecular FormulaC359H396F16O106S8
Molecular Weight6967.52 g/mol
Exact Mass6962.31
IUPAC Name[3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4F)cc3)cc2)c(F)c1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4F)cc3)cc2)c(F)c1.C=C(C)C(=O)OCOc1ccc(CCC(=O)Oc2ccc(C(c3ccc(OC(=O)CCc4ccc(OCOC(=O)C(=C)C)cc4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4F)cc3)cc2)c(F)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4F)cc3)cc2)c(F)c1
InChIInChI=1S/C43H36F8O10.2C36H28F2O12S.2C36H30O12S.2C34H24F2O12S.2C34H26O12S.36CH4/c1-25(2)39(54)58-23-56-33-13-5-27(35(44)21-33)7-19-37(52)60-31-15-9-29(10-16-31)41(42(46,47)48,43(49,50)51)30-11-17-32(18-12-30)61-38(53)20-8-28-6-14-34(22-36(28)45)57-24-59-40(55)26(3)4;2*1-21(2)33(39)47-19-45-25-9-15-29(31(37)17-25)35(41)49-23-5-11-27(12-6-23)51(43,44)28-13-7-24(8-14-28)50-36(42)30-16-10-26(18-32(30)38)46-20-48-34(40)22(3)4;2*1-23(2)33(37)45-21-43-27-9-5-25(6-10-27)35(39)47-29-13-17-31(18-14-29)49(41,42)32-19-15-30(16-20-32)48-36(40)26-7-11-28(12-8-26)44-22-46-34(38)24(3)4;2*1-3-31(37)45-19-43-23-9-15-27(29(35)17-23)33(39)47-21-5-11-25(12-6-21)49(41,42)26-13-7-22(8-14-26)48-34(40)28-16-10-24(18-30(28)36)44-20-46-32(38)4-2;2*1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-6,9-18,21-22H,1,3,7-8,19-20,23-24H2,2,4H3;2*5-18H,1,3,19-20H2,2,4H3;2*5-20H,1,3,21-22H2,2,4H3;2*3-18H,1-2,19-20H2;2*3-20H,1-2,21-22H2;36*1H4
InChIKeyJQLCXXNRUPSMLD-UHFFFAOYSA-N
XLogP77.21
TPSA1386.06 Ų
H-Bond Donors
H-Bond Acceptors106
Rotatable Bonds130
Heavy Atoms489
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006967.52
LogP ≤ 577.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10106

Analyze [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate) with MolForge

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Related Compounds

[4-[4-[2-Fluoro-4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
CID 57528039
[4-[4-[2-Fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate
CID 57528061
[4-[4-[2-Fluoro-4-(8-prop-2-enoyloxyoctoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57528075
[4-[4-[2-Fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 57528095
[4-[4-[2-Fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57560421
[4-[4-[2-Fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57560431
[4-[4-[2-Fluoro-4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57560434
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
[4-[4-[4-[4-[(3-Ethyloxetan-3-yl)methoxy]butoxy]-2-fluorobenzoyl]oxyphenyl]sulfonylphenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]-2-fluorobenzoate
CID 58769294
5-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]propan-2-yl]-2-sulfophenoxy]benzoyl]phenoxy]-3-(trioxidanylsulfanyl)phenyl]propan-2-yl]-2-methoxybenzenesulfonic acid
CID 58922238
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 59165225
[4-[(1S,2S)-2-[4-[4-(2-fluoroprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfanylcarbonylcyclohexanecarbonyl]sulfanylphenyl] 4-(2-fluoroprop-2-enoyloxymethoxy)benzoate
CID 59181061

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)?
The IUPAC name of [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate) (CID 158993384) is [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate).
What is the SMILES notation for [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)?
The canonical SMILES for [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4F)cc3)cc2)c(F)c1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C(=C)C)cc4F)cc3)cc2)c(F)c1.C=C(C)C(=O)OCOc1ccc(CCC(=O)Oc2ccc(C(c3ccc(OC(=O)CCc4ccc(OCOC(=O)C(=C)C)cc4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4F)cc3)cc2)c(F)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4F)cc3)cc2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)?
The InChIKey is JQLCXXNRUPSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36F8O10.2C36H28F2O12S.2C36H30O12S.2C34H24F2O12S.2C34H26O12S.36CH4/c1-25(2)39(54)58-23-56-33-13-5-27(35(44)21-33)7-19-37(52)60-31-15-9-29(10-16-31)41(42(46,47)48,43(49,50)51)30-11-17-32(18-12-30)61-38(53)20-8-28-6-14-34(22-36(28)45)57-24-59-40(55)26(3)4;2*1-21(2)33(39)47-19-45-25-9-15-29(31(37)17-25)35(41)49-23-5-11-27(12-6-23)51(43,44)28-13-7-24(8-14-28)50-36(42)30-16-10-26(18-32(30)38)46-20-48-34(40)22(3)4;2*1-23(2)33(37)45-21-43-27-9-5-25(6-10-27)35(39)47-29-13-17-31(18-14-29)49(41,42)32-19-15-30(16-20-32)48-36(40)26-7-11-28(12-8-26)44-22-46-34(38)24(3)4;2*1-3-31(37)45-19-43-23-9-15-27(29(35)17-23)33(39)47-21-5-11-25(12-6-21)49(41,42)26-13-7-22(8-14-26)48-34(40)28-16-10-24(18-30(28)36)44-20-46-32(38)4-2;2*1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-6,9-18,21-22H,1,3,7-8,19-20,23-24H2,2,4H3;2*5-18H,1,3,19-20H2,2,4H3;2*5-20H,1,3,21-22H2,2,4H3;2*3-18H,1-2,19-20H2;2*3-20H,1-2,21-22H2;36*1H4.
What are the key properties of [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate)?
[3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate) has a molecular weight of 6967.52 g/mol, XLogP of 77.21, 130 rotatable bonds, 0 hydrogen bond donors, and 106 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[3-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenoxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate;bis([4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([4-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate) is sourced from PubChem (CID 158993384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).