[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid

C334H312O70S20 — CID 157241111

IUPAC[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
SMILESCC.CC.CC.CC.CC.CC.CC.COc1ccc(S(=O)(=O)c2ccc(COc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(Oc4ccc(C(=O)c5ccc(Cc6ccccc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Cc6ccccc6)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Cc6ccccc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccccc7)cc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C46H34O6S.2C42H32O6S2.C40H30O4.C39H32O13S4.C38H30O6S2.C34H26O3.C32H26O5S2.7C2H6.7CH4O3S/c1-32-7-11-35(12-8-32)45(47)37-15-19-39(20-16-37)51-41-23-27-43(28-24-41)53(49,50)44-29-25-42(26-30-44)52-40-21-17-38(18-22-40)46(48)36-13-9-34(10-14-36)31-33-5-3-2-4-6-33;1-30-13-21-35(22-14-30)49(43,44)37-25-17-33(18-26-37)47-41-11-5-10-40-39(41)9-6-12-42(40)48-34-19-27-38(28-20-34)50(45,46)36-23-15-32(16-24-36)29-31-7-3-2-4-8-31;1-30-11-19-35(20-12-30)49(43,44)37-23-15-33(16-24-37)47-41-27-28-42(40-10-6-5-9-39(40)41)48-34-17-25-38(26-18-34)50(45,46)36-21-13-32(14-22-36)29-31-7-3-2-4-8-31;1-28-7-11-31(12-8-28)39(41)33-15-19-35(20-16-33)43-37-23-25-38(26-24-37)44-36-21-17-34(18-22-36)40(42)32-13-9-30(10-14-32)27-29-5-3-2-4-6-29;1-26-3-13-32(14-4-26)54(41,42)35-19-11-31(12-20-35)50-36-21-7-28(23-38(36)53-52-51-40)29-8-22-37(39(24-29)56(45,46)47)49-25-27-5-15-33(16-6-27)55(43,44)34-17-9-30(48-2)10-18-34;1-28-7-19-35(20-8-28)45(39,40)37-23-15-33(16-24-37)43-31-11-13-32(14-12-31)44-34-17-25-38(26-18-34)46(41,42)36-21-9-30(10-22-36)27-29-5-3-2-4-6-29;1-24-7-11-27(12-8-24)33(35)29-15-19-31(20-16-29)37-32-21-17-30(18-22-32)34(36)28-13-9-26(10-14-28)23-25-5-3-2-4-6-25;1-24-7-15-29(16-8-24)38(33,34)31-19-11-27(12-20-31)37-28-13-21-32(22-14-28)39(35,36)30-17-9-26(10-18-30)23-25-5-3-2-4-6-25;7*1-2;7*1-5(2,3)4/h2-30H,31H2,1H3;2*2-28H,29H2,1H3;2-26H,27H2,1H3;3-24,40H,25H2,1-2H3,(H,45,46,47);2-26H,27H2,1H3;2-22H,23H2,1H3;2-22H,23H2,1H3;7*1-2H3;7*1H3,(H,2,3,4)
InChIKeyYKYPAGAZXKXWPY-UHFFFAOYSA-N
MW6087.44 g/mol
LogP75.89
Rot. Bonds83

About [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid

[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid (PubChem CID 157241111) has the molecular formula C334H312O70S20 and a molecular weight of 6087.44 g/mol. Its IUPAC name is [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid.

Molecular Properties

Compound Name[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
PubChem CID157241111
Molecular FormulaC334H312O70S20
Molecular Weight6087.44 g/mol
Exact Mass6081.53
IUPAC Name[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
SMILESCC.CC.CC.CC.CC.CC.CC.COc1ccc(S(=O)(=O)c2ccc(COc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(Oc4ccc(C(=O)c5ccc(Cc6ccccc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Cc6ccccc6)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Cc6ccccc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccccc7)cc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C46H34O6S.2C42H32O6S2.C40H30O4.C39H32O13S4.C38H30O6S2.C34H26O3.C32H26O5S2.7C2H6.7CH4O3S/c1-32-7-11-35(12-8-32)45(47)37-15-19-39(20-16-37)51-41-23-27-43(28-24-41)53(49,50)44-29-25-42(26-30-44)52-40-21-17-38(18-22-40)46(48)36-13-9-34(10-14-36)31-33-5-3-2-4-6-33;1-30-13-21-35(22-14-30)49(43,44)37-25-17-33(18-26-37)47-41-11-5-10-40-39(41)9-6-12-42(40)48-34-19-27-38(28-20-34)50(45,46)36-23-15-32(16-24-36)29-31-7-3-2-4-8-31;1-30-11-19-35(20-12-30)49(43,44)37-23-15-33(16-24-37)47-41-27-28-42(40-10-6-5-9-39(40)41)48-34-17-25-38(26-18-34)50(45,46)36-21-13-32(14-22-36)29-31-7-3-2-4-8-31;1-28-7-11-31(12-8-28)39(41)33-15-19-35(20-16-33)43-37-23-25-38(26-24-37)44-36-21-17-34(18-22-36)40(42)32-13-9-30(10-14-32)27-29-5-3-2-4-6-29;1-26-3-13-32(14-4-26)54(41,42)35-19-11-31(12-20-35)50-36-21-7-28(23-38(36)53-52-51-40)29-8-22-37(39(24-29)56(45,46)47)49-25-27-5-15-33(16-6-27)55(43,44)34-17-9-30(48-2)10-18-34;1-28-7-19-35(20-8-28)45(39,40)37-23-15-33(16-24-37)43-31-11-13-32(14-12-31)44-34-17-25-38(26-18-34)46(41,42)36-21-9-30(10-22-36)27-29-5-3-2-4-6-29;1-24-7-11-27(12-8-24)33(35)29-15-19-31(20-16-29)37-32-21-17-30(18-22-32)34(36)28-13-9-26(10-14-28)23-25-5-3-2-4-6-25;1-24-7-15-29(16-8-24)38(33,34)31-19-11-27(12-20-31)37-28-13-21-32(22-14-28)39(35,36)30-17-9-26(10-18-30)23-25-5-3-2-4-6-25;7*1-2;7*1-5(2,3)4/h2-30H,31H2,1H3;2*2-28H,29H2,1H3;2-26H,27H2,1H3;3-24,40H,25H2,1-2H3,(H,45,46,47);2-26H,27H2,1H3;2-22H,23H2,1H3;2-22H,23H2,1H3;7*1-2H3;7*1H3,(H,2,3,4)
InChIKeyYKYPAGAZXKXWPY-UHFFFAOYSA-N
XLogP75.89
TPSA1090.06 Ų
H-Bond Donors9
H-Bond Acceptors63
Rotatable Bonds83
Heavy Atoms424
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006087.44
LogP ≤ 575.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1063

Analyze [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid with MolForge

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Related Compounds

[5-[4-[4-(4-Methoxyphenyl)phenoxy]-3-methoxysulfonylbenzoyl]-2-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanesulfonic acid
CID 58185893
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]butyl]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58769498
3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]benzenesulfonic acid
CID 58795298
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)benzoyl]benzenesulfonic acid
CID 58854789
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
[5-(4-Methoxy-3-methoxysulfonylbenzoyl)-2-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]methanesulfonic acid
CID 88292842
[2-[4-[3,5-Dimethyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]sulfonyl-2,6-dimethylphenoxy]-5-(4-methoxy-3-methoxysulfonylbenzoyl)phenyl]methanesulfonic acid
CID 88292888
4-[2-[2-[[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]-5-methylphenoxy]ethyl]benzene-1,3-disulfonic acid;2-[5-methyl-2-[[4-[4-[4-(4-methylbenzoyl)phenoxy]benzoyl]phenyl]methyl]phenyl]sulfonylethanesulfonic acid
CID 91165614
2-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-2-(trioxidanylsulfanyl)phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[3-methyl-4-[4-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]-2-sulfophenoxy]phenyl]benzenesulfonic acid
CID 91345259
Benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;fluoroform;octane-1-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;pentafluoro-lambda5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
CID 157172981
Ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene
CID 157177279
CID 157499781
CID 157499781

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid?
The IUPAC name of [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid (CID 157241111) is [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid.
What is the SMILES notation for [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid?
The canonical SMILES for [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid is CC.CC.CC.CC.CC.CC.CC.COc1ccc(S(=O)(=O)c2ccc(COc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(Oc4ccc(C(=O)c5ccc(Cc6ccccc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Cc6ccccc6)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Cc6ccccc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccccc7)cc6)cc5)cccc34)cc2)cc1.
What is the InChIKey of [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid?
The InChIKey is YKYPAGAZXKXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O6S.2C42H32O6S2.C40H30O4.C39H32O13S4.C38H30O6S2.C34H26O3.C32H26O5S2.7C2H6.7CH4O3S/c1-32-7-11-35(12-8-32)45(47)37-15-19-39(20-16-37)51-41-23-27-43(28-24-41)53(49,50)44-29-25-42(26-30-44)52-40-21-17-38(18-22-40)46(48)36-13-9-34(10-14-36)31-33-5-3-2-4-6-33;1-30-13-21-35(22-14-30)49(43,44)37-25-17-33(18-26-37)47-41-11-5-10-40-39(41)9-6-12-42(40)48-34-19-27-38(28-20-34)50(45,46)36-23-15-32(16-24-36)29-31-7-3-2-4-8-31;1-30-11-19-35(20-12-30)49(43,44)37-23-15-33(16-24-37)47-41-27-28-42(40-10-6-5-9-39(40)41)48-34-17-25-38(26-18-34)50(45,46)36-21-13-32(14-22-36)29-31-7-3-2-4-8-31;1-28-7-11-31(12-8-28)39(41)33-15-19-35(20-16-33)43-37-23-25-38(26-24-37)44-36-21-17-34(18-22-36)40(42)32-13-9-30(10-14-32)27-29-5-3-2-4-6-29;1-26-3-13-32(14-4-26)54(41,42)35-19-11-31(12-20-35)50-36-21-7-28(23-38(36)53-52-51-40)29-8-22-37(39(24-29)56(45,46)47)49-25-27-5-15-33(16-6-27)55(43,44)34-17-9-30(48-2)10-18-34;1-28-7-19-35(20-8-28)45(39,40)37-23-15-33(16-24-37)43-31-11-13-32(14-12-31)44-34-17-25-38(26-18-34)46(41,42)36-21-9-30(10-22-36)27-29-5-3-2-4-6-29;1-24-7-11-27(12-8-24)33(35)29-15-19-31(20-16-29)37-32-21-17-30(18-22-32)34(36)28-13-9-26(10-14-28)23-25-5-3-2-4-6-25;1-24-7-15-29(16-8-24)38(33,34)31-19-11-27(12-20-31)37-28-13-21-32(22-14-28)39(35,36)30-17-9-26(10-18-30)23-25-5-3-2-4-6-25;7*1-2;7*1-5(2,3)4/h2-30H,31H2,1H3;2*2-28H,29H2,1H3;2-26H,27H2,1H3;3-24,40H,25H2,1-2H3,(H,45,46,47);2-26H,27H2,1H3;2-22H,23H2,1H3;2-22H,23H2,1H3;7*1-2H3;7*1H3,(H,2,3,4).
What are the key properties of [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid?
[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid has a molecular weight of 6087.44 g/mol, XLogP of 75.89, 83 rotatable bonds, 9 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-benzylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-benzylphenyl)sulfonylphenoxy]-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-(4-benzylphenyl)sulfonylphenoxy]-5-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid;2-[[4-(4-methoxyphenyl)sulfonylphenyl]methoxy]-5-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid is sourced from PubChem (CID 157241111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).