1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene

C231H204F6O34S8 — CID 159130162

IUPAC1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene
SMILESCOc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)cc3)CCC(C)(C)C2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H42O4S.C41H36O5S.C33H34O4S.C32H26O6S.C29H22F6O4S.C26H22O6S2.C26H22O5S/c1-31-7-13-34(14-8-31)43(2,3)35-15-9-32(10-16-35)33-11-17-36(18-12-33)44(4,5)37-19-21-39(22-20-37)48-40-25-29-42(30-26-40)49(45,46)41-27-23-38(47-6)24-28-41;1-29-5-11-32(12-6-29)41(2,3)33-13-7-30(8-14-33)31-9-25-39(26-10-31)47(42,43)40-27-23-38(24-28-40)46-37-21-19-36(20-22-37)45-35-17-15-34(44-4)16-18-35;1-24-5-17-30(18-6-24)38(34,35)31-19-15-29(16-20-31)37-28-13-9-26(10-14-28)33(22-21-32(2,3)23-33)25-7-11-27(36-4)12-8-25;1-23-3-5-25(6-4-23)36-26-7-9-27(10-8-26)37-28-11-13-29(14-12-28)38-30-17-21-32(22-18-30)39(33,34)31-19-15-24(35-2)16-20-31;1-19-3-15-25(16-4-19)40(36,37)26-17-13-24(14-18-26)39-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(38-2)10-6-20;1-19-3-11-23(12-4-19)33(27,28)25-15-17-26(18-16-25)34(29,30)24-13-9-22(10-14-24)32-21-7-5-20(31-2)6-8-21;1-19-3-15-25(16-4-19)32(27,28)26-17-13-24(14-18-26)31-23-11-9-22(10-12-23)30-21-7-5-20(29-2)6-8-21/h7-30H,1-6H3;5-28H,1-4H3;5-20H,21-23H2,1-4H3;3-22H,1-2H3;3-18H,1-2H3;3-18H,1-2H3;3-18H,1-2H3
InChIKeyKGUBSIPEYXCQDY-UHFFFAOYSA-N
MW3894.66 g/mol
LogP57.62
Rot. Bonds57

About 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene

1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene (PubChem CID 159130162) has the molecular formula C231H204F6O34S8 and a molecular weight of 3894.66 g/mol. Its IUPAC name is 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene
PubChem CID159130162
Molecular FormulaC231H204F6O34S8
Molecular Weight3894.66 g/mol
Exact Mass3891.19
IUPAC Name1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene
SMILESCOc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)cc3)CCC(C)(C)C2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H42O4S.C41H36O5S.C33H34O4S.C32H26O6S.C29H22F6O4S.C26H22O6S2.C26H22O5S/c1-31-7-13-34(14-8-31)43(2,3)35-15-9-32(10-16-35)33-11-17-36(18-12-33)44(4,5)37-19-21-39(22-20-37)48-40-25-29-42(30-26-40)49(45,46)41-27-23-38(47-6)24-28-41;1-29-5-11-32(12-6-29)41(2,3)33-13-7-30(8-14-33)31-9-25-39(26-10-31)47(42,43)40-27-23-38(24-28-40)46-37-21-19-36(20-22-37)45-35-17-15-34(44-4)16-18-35;1-24-5-17-30(18-6-24)38(34,35)31-19-15-29(16-20-31)37-28-13-9-26(10-14-28)33(22-21-32(2,3)23-33)25-7-11-27(36-4)12-8-25;1-23-3-5-25(6-4-23)36-26-7-9-27(10-8-26)37-28-11-13-29(14-12-28)38-30-17-21-32(22-18-30)39(33,34)31-19-15-24(35-2)16-20-31;1-19-3-15-25(16-4-19)40(36,37)26-17-13-24(14-18-26)39-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(38-2)10-6-20;1-19-3-11-23(12-4-19)33(27,28)25-15-17-26(18-16-25)34(29,30)24-13-9-22(10-14-24)32-21-7-5-20(31-2)6-8-21;1-19-3-15-25(16-4-19)32(27,28)26-17-13-24(14-18-26)31-23-11-9-22(10-12-23)30-21-7-5-20(29-2)6-8-21/h7-30H,1-6H3;5-28H,1-4H3;5-20H,21-23H2,1-4H3;3-22H,1-2H3;3-18H,1-2H3;3-18H,1-2H3;3-18H,1-2H3
InChIKeyKGUBSIPEYXCQDY-UHFFFAOYSA-N
XLogP57.62
TPSA439.26 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds57
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003894.66
LogP ≤ 557.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene with MolForge

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Related Compounds

1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]benzene
CID 18996468
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 23557757
1-Ethenyl-4-[4-[2-[4-[4-[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorobenzene
CID 23575469
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
9-(4-Methoxyphenyl)-9-[4-[4-[4-[4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 57595073
2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfophenyl]sulfonyl-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 57616584
1-[4-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57616659
1-Methyl-4-[4-[4-[4-[4-[4-[4-[1,1,3,3-tetrafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 57616677
1-[4-[4-[2-[4-(4-Ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene
CID 57679060
2-(4-Methoxyphenoxy)-5-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 57684154

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene?
The IUPAC name of 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene (CID 159130162) is 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene is COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)cc3)CCC(C)(C)C2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene?
The InChIKey is KGUBSIPEYXCQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O4S.C41H36O5S.C33H34O4S.C32H26O6S.C29H22F6O4S.C26H22O6S2.C26H22O5S/c1-31-7-13-34(14-8-31)43(2,3)35-15-9-32(10-16-35)33-11-17-36(18-12-33)44(4,5)37-19-21-39(22-20-37)48-40-25-29-42(30-26-40)49(45,46)41-27-23-38(47-6)24-28-41;1-29-5-11-32(12-6-29)41(2,3)33-13-7-30(8-14-33)31-9-25-39(26-10-31)47(42,43)40-27-23-38(24-28-40)46-37-21-19-36(20-22-37)45-35-17-15-34(44-4)16-18-35;1-24-5-17-30(18-6-24)38(34,35)31-19-15-29(16-20-31)37-28-13-9-26(10-14-28)33(22-21-32(2,3)23-33)25-7-11-27(36-4)12-8-25;1-23-3-5-25(6-4-23)36-26-7-9-27(10-8-26)37-28-11-13-29(14-12-28)38-30-17-21-32(22-18-30)39(33,34)31-19-15-24(35-2)16-20-31;1-19-3-15-25(16-4-19)40(36,37)26-17-13-24(14-18-26)39-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(38-2)10-6-20;1-19-3-11-23(12-4-19)33(27,28)25-15-17-26(18-16-25)34(29,30)24-13-9-22(10-14-24)32-21-7-5-20(31-2)6-8-21;1-19-3-15-25(16-4-19)32(27,28)26-17-13-24(14-18-26)31-23-11-9-22(10-12-23)30-21-7-5-20(29-2)6-8-21/h7-30H,1-6H3;5-28H,1-4H3;5-20H,21-23H2,1-4H3;3-22H,1-2H3;3-18H,1-2H3;3-18H,1-2H3;3-18H,1-2H3.
What are the key properties of 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene?
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene has a molecular weight of 3894.66 g/mol, XLogP of 57.62, 57 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[2-[4-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfonylphenyl]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenyl]sulfonyl-4-methylbenzene;1-[4-[4-[1-(4-methoxyphenyl)-3,3-dimethylcyclopentyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenoxy]phenoxy]-4-methylbenzene;1-[2-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenyl]phenyl]propan-2-yl]-4-methylbenzene is sourced from PubChem (CID 159130162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).