1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid

C234H178O61S16 — CID 158685737

IUPAC1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
SMILESCOc1ccc(-c2ccc(Oc3ccc4ccccc4c3-c3c(COc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)ccc4ccccc34)cc2)cc1C.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(COc4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)c(SOOO)c6)cc5S(=O)(=O)O)c5ccccc45)cc3)cc2)c2ccccc12.COc1ccc2cc(Oc3ccc(S(=O)(=O)c4ccc(COc5ccc6cc(Oc7ccc(S(=O)(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)ccc6c5)cc4)cc3)ccc2c1.COc1ccc2cc(Oc3ccc4cc(Oc5ccc6cc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7S(=O)(=O)O)ccc6c5)ccc4c3)ccc2c1.COc1ccc2ccc(Oc3ccc(S(=O)(=O)c4ccc(COc5cc6cc(Oc7ccc(S(=O)(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)c(SOOO)cc6cc5S(=O)(=O)O)cc4)cc3)cc2c1
InChIInChI=1S/C48H38O5S.C47H36O20S6.2C47H36O14S4.C45H32O8S/c1-32-12-24-41(25-13-32)54(49,50)42-26-22-39(23-27-42)52-31-38-15-14-35-8-4-6-10-43(35)47(38)48-44-11-7-5-9-36(44)18-29-46(48)53-40-20-16-34(17-21-40)37-19-28-45(51-3)33(2)30-37;1-28-3-12-39(25-44(28)68-66-64-48)71(52,53)40-17-18-41(47(26-40)73(57,58)59)63-42-21-32-22-43(46(72(54,55)56)24-33(32)23-45(42)69-67-65-49)61-27-29-4-13-37(14-5-29)70(50,51)38-15-10-34(11-16-38)62-36-9-7-30-6-8-35(60-2)19-31(30)20-36;1-30-3-16-43(27-46(30)62-61-60-48)64(51,52)44-21-22-45(47(28-44)65(53,54)55)59-40-13-9-33-24-38(11-7-35(33)26-40)57-29-31-4-17-41(18-5-31)63(49,50)42-19-14-36(15-20-42)58-39-12-8-32-23-37(56-2)10-6-34(32)25-39;1-30-11-16-35(27-46(30)62-61-60-48)64(51,52)36-21-22-45(47(28-36)65(53,54)55)59-44-26-24-42(38-8-4-6-10-40(38)44)57-29-31-12-17-33(18-13-31)63(49,50)34-19-14-32(15-20-34)58-43-25-23-41(56-2)37-7-3-5-9-39(37)43;1-28-3-5-29(6-4-28)45(46)36-13-20-43(44(27-36)54(47,48)49)53-42-19-12-34-25-41(18-11-35(34)26-42)52-40-17-10-32-23-39(16-9-33(32)24-40)51-38-15-8-30-21-37(50-2)14-7-31(30)22-38/h4-30H,31H2,1-3H3;3-26,48-49H,27H2,1-2H3,(H,54,55,56)(H,57,58,59);2*3-28,48H,29H2,1-2H3,(H,53,54,55);3-27H,1-2H3,(H,47,48,49)
InChIKeyIFSCVKVNQCZSTF-UHFFFAOYSA-N
MW4479.01 g/mol
LogP55.59
Rot. Bonds72

About 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid

1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid (PubChem CID 158685737) has the molecular formula C234H178O61S16 and a molecular weight of 4479.01 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid.

Molecular Properties

Compound Name1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
PubChem CID158685737
Molecular FormulaC234H178O61S16
Molecular Weight4479.01 g/mol
Exact Mass4474.64
IUPAC Name1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
SMILESCOc1ccc(-c2ccc(Oc3ccc4ccccc4c3-c3c(COc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)ccc4ccccc34)cc2)cc1C.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(COc4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)c(SOOO)c6)cc5S(=O)(=O)O)c5ccccc45)cc3)cc2)c2ccccc12.COc1ccc2cc(Oc3ccc(S(=O)(=O)c4ccc(COc5ccc6cc(Oc7ccc(S(=O)(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)ccc6c5)cc4)cc3)ccc2c1.COc1ccc2cc(Oc3ccc4cc(Oc5ccc6cc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7S(=O)(=O)O)ccc6c5)ccc4c3)ccc2c1.COc1ccc2ccc(Oc3ccc(S(=O)(=O)c4ccc(COc5cc6cc(Oc7ccc(S(=O)(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)c(SOOO)cc6cc5S(=O)(=O)O)cc4)cc3)cc2c1
InChIInChI=1S/C48H38O5S.C47H36O20S6.2C47H36O14S4.C45H32O8S/c1-32-12-24-41(25-13-32)54(49,50)42-26-22-39(23-27-42)52-31-38-15-14-35-8-4-6-10-43(35)47(38)48-44-11-7-5-9-36(44)18-29-46(48)53-40-20-16-34(17-21-40)37-19-28-45(51-3)33(2)30-37;1-28-3-12-39(25-44(28)68-66-64-48)71(52,53)40-17-18-41(47(26-40)73(57,58)59)63-42-21-32-22-43(46(72(54,55)56)24-33(32)23-45(42)69-67-65-49)61-27-29-4-13-37(14-5-29)70(50,51)38-15-10-34(11-16-38)62-36-9-7-30-6-8-35(60-2)19-31(30)20-36;1-30-3-16-43(27-46(30)62-61-60-48)64(51,52)44-21-22-45(47(28-44)65(53,54)55)59-40-13-9-33-24-38(11-7-35(33)26-40)57-29-31-4-17-41(18-5-31)63(49,50)42-19-14-36(15-20-42)58-39-12-8-32-23-37(56-2)10-6-34(32)25-39;1-30-11-16-35(27-46(30)62-61-60-48)64(51,52)36-21-22-45(47(28-36)65(53,54)55)59-44-26-24-42(38-8-4-6-10-40(38)44)57-29-31-12-17-33(18-13-31)63(49,50)34-19-14-32(15-20-34)58-43-25-23-41(56-2)37-7-3-5-9-39(37)43;1-28-3-5-29(6-4-28)45(46)36-13-20-43(44(27-36)54(47,48)49)53-42-19-12-34-25-41(18-11-35(34)26-42)52-40-17-10-32-23-39(16-9-33(32)24-40)51-38-15-8-30-21-37(50-2)14-7-31(30)22-38/h4-30H,31H2,1-3H3;3-26,48-49H,27H2,1-2H3,(H,54,55,56)(H,57,58,59);2*3-28,48H,29H2,1-2H3,(H,53,54,55);3-27H,1-2H3,(H,47,48,49)
InChIKeyIFSCVKVNQCZSTF-UHFFFAOYSA-N
XLogP55.59
TPSA858.03 Ų
H-Bond Donors9
H-Bond Acceptors60
Rotatable Bonds72
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004479.01
LogP ≤ 555.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1060

Analyze 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid with MolForge

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Related Compounds

3-methoxy-6-[4-[4-[[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxymethyl]-3-(trioxidanylsulfanyl)benzoyl]-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 59022199
2-[4-[[4-(4-methoxybenzoyl)phenyl]methoxy]-2-(trioxidanylsulfanyl)phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 58013337
2-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-5-[4-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-3-(trioxidanylsulfanyl)phenoxy]benzenesulfonic acid
CID 58013336
methanesulfonic acid;2-[4-(4-methoxyphenoxy)phenoxy]-5-[4-[[4-(4-methylbenzoyl)phenoxy]methyl]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 90704916
2-[4-(4-methoxyphenyl)phenoxy]-5-[4-[[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]methyl]-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
CID 58835478
2-[4-(4-methoxyphenoxy)phenoxy]-5-[4-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 58854797
methanesulfonic acid;2-[4-(4-methoxyphenoxy)phenoxy]-5-[4-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 91285882
2-[4-(4-methoxybenzoyl)phenoxy]-5-[4-[[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]methyl]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-5-[4-[[4-[4-(4-methylbenzoyl)phenoxy]phenoxy]methyl]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;4-[2-methoxy-3-(4-sulfophenyl)-5-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]methyl]phenyl]benzenesulfonic acid
CID 90903653
[4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
CID 158772417
2-[4-(4-methoxyphenoxy)phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
CID 59022186
5-[4-[4-[2-[4-[[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]methoxy]phenyl]propan-2-yl]phenoxy]-3-(trioxidanylsulfanyl)benzoyl]-2-methylbenzenesulfonic acid
CID 58944108
5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
CID 161384196

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid?
The IUPAC name of 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid (CID 158685737) is 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid.
What is the SMILES notation for 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid?
The canonical SMILES for 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid is COc1ccc(-c2ccc(Oc3ccc4ccccc4c3-c3c(COc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)ccc4ccccc34)cc2)cc1C.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(COc4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)c(SOOO)c6)cc5S(=O)(=O)O)c5ccccc45)cc3)cc2)c2ccccc12.COc1ccc2cc(Oc3ccc(S(=O)(=O)c4ccc(COc5ccc6cc(Oc7ccc(S(=O)(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)ccc6c5)cc4)cc3)ccc2c1.COc1ccc2cc(Oc3ccc4cc(Oc5ccc6cc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7S(=O)(=O)O)ccc6c5)ccc4c3)ccc2c1.COc1ccc2ccc(Oc3ccc(S(=O)(=O)c4ccc(COc5cc6cc(Oc7ccc(S(=O)(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)c(SOOO)cc6cc5S(=O)(=O)O)cc4)cc3)cc2c1.
What is the InChIKey of 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid?
The InChIKey is IFSCVKVNQCZSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38O5S.C47H36O20S6.2C47H36O14S4.C45H32O8S/c1-32-12-24-41(25-13-32)54(49,50)42-26-22-39(23-27-42)52-31-38-15-14-35-8-4-6-10-43(35)47(38)48-44-11-7-5-9-36(44)18-29-46(48)53-40-20-16-34(17-21-40)37-19-28-45(51-3)33(2)30-37;1-28-3-12-39(25-44(28)68-66-64-48)71(52,53)40-17-18-41(47(26-40)73(57,58)59)63-42-21-32-22-43(46(72(54,55)56)24-33(32)23-45(42)69-67-65-49)61-27-29-4-13-37(14-5-29)70(50,51)38-15-10-34(11-16-38)62-36-9-7-30-6-8-35(60-2)19-31(30)20-36;1-30-3-16-43(27-46(30)62-61-60-48)64(51,52)44-21-22-45(47(28-44)65(53,54)55)59-40-13-9-33-24-38(11-7-35(33)26-40)57-29-31-4-17-41(18-5-31)63(49,50)42-19-14-36(15-20-42)58-39-12-8-32-23-37(56-2)10-6-34(32)25-39;1-30-11-16-35(27-46(30)62-61-60-48)64(51,52)36-21-22-45(47(28-36)65(53,54)55)59-44-26-24-42(38-8-4-6-10-40(38)44)57-29-31-12-17-33(18-13-31)63(49,50)34-19-14-32(15-20-34)58-43-25-23-41(56-2)37-7-3-5-9-39(37)43;1-28-3-5-29(6-4-28)45(46)36-13-20-43(44(27-36)54(47,48)49)53-42-19-12-34-25-41(18-11-35(34)26-42)52-40-17-10-32-23-39(16-9-33(32)24-40)51-38-15-8-30-21-37(50-2)14-7-31(30)22-38/h4-30H,31H2,1-3H3;3-26,48-49H,27H2,1-2H3,(H,54,55,56)(H,57,58,59);2*3-28,48H,29H2,1-2H3,(H,53,54,55);3-27H,1-2H3,(H,47,48,49).
What are the key properties of 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid?
1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid has a molecular weight of 4479.01 g/mol, XLogP of 55.59, 72 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxy-3-methylphenyl)phenoxy]naphthalen-1-yl]-2-[[4-(4-methylphenyl)sulfonylphenoxy]methyl]naphthalene;2-[6-[6-(6-methoxynaphthalen-2-yl)oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxy-5-(4-methylbenzoyl)benzenesulfonic acid;3-[[4-[4-(7-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]-6-[4-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonyl-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[4-[[4-[4-(4-methoxynaphthalen-1-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-1-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[6-[[4-[4-(6-methoxynaphthalen-2-yl)oxyphenyl]sulfonylphenyl]methoxy]naphthalen-2-yl]oxy-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid is sourced from PubChem (CID 158685737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).