3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid

C185H134N38O57S14 — CID 159836305

IUPAC3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid
SMILESCc1cc(/N=N/c2c(SOOO)cc3ccc(NCCS(=O)(=O)O)cc3c2O)c(OCC(O)CO)cc1/N=N/c1ccc(/N=N/c2ccc3ncccc3c2)c2cc(SOOO)ccc12.Cc1cc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)ccc1/N=N/c1ccc2c(c1)C(=O)NC2=O.Cc1cc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4ccc(Nc5ccc(C(=O)O)cc5)cc4c3O)c3cc(S(=O)(=O)O)ccc23)ccc1/N=N/c1ccc2c(c1)C(=O)NC2=O.Cc1ccc2cc(SOOO)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc6[nH]c(=O)[nH]c6c5)c5ccc(S(=O)(=O)O)cc45)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4cc5ccccc5cn4)c4cc(SOOO)ccc34)c(SOOO)cc2cc1S(=O)(=O)O
InChIInChI=1S/C42H28N8O11S2.C41H36N8O13S3.C38H26N8O11S3.C35H24N8O12S3.C29H20N6O10S3/c1-21-16-26(9-13-34(21)47-46-27-8-11-30-33(19-27)41(53)44-40(30)52)45-48-35-14-15-36(32-20-28(63(57,58)59)10-12-29(32)35)49-50-38-37(62-61-60-56)17-23-4-7-25(18-31(23)39(38)51)43-24-5-2-22(3-6-24)42(54)55;1-23-15-37(48-49-40-39(64-62-60-54)17-24-4-5-26(18-31(24)41(40)52)42-13-14-65(55,56)57)38(58-22-28(51)21-50)20-36(23)47-46-34-10-11-35(32-19-29(63-61-59-53)7-8-30(32)34)45-44-27-6-9-33-25(16-27)3-2-12-43-33;1-19-2-3-20-15-35(58-57-56-49)36(37(47)26(20)14-19)46-45-32-13-11-30(25-8-6-23(18-28(25)32)60(53,54)55)43-44-31-12-10-29(24-7-5-22(17-27(24)31)59(50,51)52)42-41-21-4-9-33-34(16-21)40-38(48)39-33;1-16-10-18(3-7-27(16)40-39-19-2-5-22-25(13-19)35(46)37-34(22)45)38-41-28-8-9-29(24-14-20(57(48,49)50)4-6-21(24)28)42-43-32-30(56-55-54-47)11-17-12-31(58(51,52)53)26(36)15-23(17)33(32)44;30-22-13-20-17(10-26(22)48(39,40)41)9-25(47-45-43-38)28(29(20)36)35-33-23-7-8-24(21-12-18(46-44-42-37)5-6-19(21)23)32-34-27-11-15-3-1-2-4-16(15)14-31-27/h2-20,43,51,56H,1H3,(H,54,55)(H,44,52,53)(H,57,58,59);2-12,15-20,28,42,50-54H,13-14,21-22H2,1H3,(H,55,56,57);2-18,47,49H,1H3,(H2,39,40,48)(H,50,51,52)(H,53,54,55);2-15,44,47H,36H2,1H3,(H,37,45,46)(H,48,49,50)(H,51,52,53);1-14,36-38H,30H2,(H,39,40,41)/b47-46+,48-45+,50-49+;45-44+,47-46+,49-48+;42-41+,44-43+,46-45+;40-39+,41-38+,43-42+;34-32+,35-33+
InChIKeyNOCTZBXZMVGKON-JFNFTKGZSA-N
MW4250.25 g/mol
LogP49.84
Rot. Bonds66

About 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid

3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 159836305) has the molecular formula C185H134N38O57S14 and a molecular weight of 4250.25 g/mol. Its IUPAC name is 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID159836305
Molecular FormulaC185H134N38O57S14
Molecular Weight4250.25 g/mol
Exact Mass4246.48
IUPAC Name3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid
SMILESCc1cc(/N=N/c2c(SOOO)cc3ccc(NCCS(=O)(=O)O)cc3c2O)c(OCC(O)CO)cc1/N=N/c1ccc(/N=N/c2ccc3ncccc3c2)c2cc(SOOO)ccc12.Cc1cc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)ccc1/N=N/c1ccc2c(c1)C(=O)NC2=O.Cc1cc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4ccc(Nc5ccc(C(=O)O)cc5)cc4c3O)c3cc(S(=O)(=O)O)ccc23)ccc1/N=N/c1ccc2c(c1)C(=O)NC2=O.Cc1ccc2cc(SOOO)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc6[nH]c(=O)[nH]c6c5)c5ccc(S(=O)(=O)O)cc45)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4cc5ccccc5cn4)c4cc(SOOO)ccc34)c(SOOO)cc2cc1S(=O)(=O)O
InChIInChI=1S/C42H28N8O11S2.C41H36N8O13S3.C38H26N8O11S3.C35H24N8O12S3.C29H20N6O10S3/c1-21-16-26(9-13-34(21)47-46-27-8-11-30-33(19-27)41(53)44-40(30)52)45-48-35-14-15-36(32-20-28(63(57,58)59)10-12-29(32)35)49-50-38-37(62-61-60-56)17-23-4-7-25(18-31(23)39(38)51)43-24-5-2-22(3-6-24)42(54)55;1-23-15-37(48-49-40-39(64-62-60-54)17-24-4-5-26(18-31(24)41(40)52)42-13-14-65(55,56)57)38(58-22-28(51)21-50)20-36(23)47-46-34-10-11-35(32-19-29(63-61-59-53)7-8-30(32)34)45-44-27-6-9-33-25(16-27)3-2-12-43-33;1-19-2-3-20-15-35(58-57-56-49)36(37(47)26(20)14-19)46-45-32-13-11-30(25-8-6-23(18-28(25)32)60(53,54)55)43-44-31-12-10-29(24-7-5-22(17-27(24)31)59(50,51)52)42-41-21-4-9-33-34(16-21)40-38(48)39-33;1-16-10-18(3-7-27(16)40-39-19-2-5-22-25(13-19)35(46)37-34(22)45)38-41-28-8-9-29(24-14-20(57(48,49)50)4-6-21(24)28)42-43-32-30(56-55-54-47)11-17-12-31(58(51,52)53)26(36)15-23(17)33(32)44;30-22-13-20-17(10-26(22)48(39,40)41)9-25(47-45-43-38)28(29(20)36)35-33-23-7-8-24(21-12-18(46-44-42-37)5-6-19(21)23)32-34-27-11-15-3-1-2-4-16(15)14-31-27/h2-20,43,51,56H,1H3,(H,54,55)(H,44,52,53)(H,57,58,59);2-12,15-20,28,42,50-54H,13-14,21-22H2,1H3,(H,55,56,57);2-18,47,49H,1H3,(H2,39,40,48)(H,50,51,52)(H,53,54,55);2-15,44,47H,36H2,1H3,(H,37,45,46)(H,48,49,50)(H,51,52,53);1-14,36-38H,30H2,(H,39,40,41)/b47-46+,48-45+,50-49+;45-44+,47-46+,49-48+;42-41+,44-43+,46-45+;40-39+,41-38+,43-42+;34-32+,35-33+
InChIKeyNOCTZBXZMVGKON-JFNFTKGZSA-N
XLogP49.84
TPSA1428.51 Ų
H-Bond Donors30
H-Bond Acceptors90
Rotatable Bonds66
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004250.25
LogP ≤ 549.84
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1090

Analyze 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid with MolForge

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Related Compounds

3-amino-6-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;8-[[4-[[7-amino-1-hydroxy-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[[6-(trioxidanylsulfanyl)quinolin-3-yl]diazenyl]quinoline-2-carboxylic acid;7-[[2-(2,3-dihydroxypropoxy)-4-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-5-methylphenyl]diazenyl]-8-hydroxyquinoline-5-sulfonic acid;3-[[4-[2-(9,10-dioxoanthracen-1-yl)oxyethylamino]-6-hydroxy-1,3,5-triazin-2-yl]amino]-6-[[7-sulfo-4-[(5-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 158736814
3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135962530
3-amino-6-[[2-(2,3-dihydroxypropoxy)-4-[[2-(2,3-dihydroxypropoxy)-4-[[4-hydroxy-3-(trioxidanylsulfanyl)phenyl]diazenyl]-5-methylphenyl]diazenyl]-5-methylphenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135974873
3-amino-6-[[4-[[3-(2,3-dihydroxypropoxy)phenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135962562
3-amino-6-[[2-(2,3-dihydroxypropoxy)-4-[(3-isocyanophenyl)diazenyl]-5-methylphenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135962583
3-amino-5-hydroxy-6-[[7-sulfo-4-[[8-[[5-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]quinolin-5-yl]diazenyl]naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135962589
3-amino-6-[[4-[[4-anilino-3-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-[[8-hydroxy-4,6-bis(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-2-methoxy-5-(methoxymethylideneamino)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-[[4-[[5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]carbamoyl]phenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-[(3-isocyanophenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-[[7-[[4-[[4-amino-3-(trioxidanylsulfanyl)phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;3-[[4-[[7-(4-carboxyanilino)-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-ethoxy-2-(phenoxymethylideneamino)phenyl]diazenyl]benzoic acid
CID 159906734
5-[[4-[[7-amino-1-hydroxy-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid
CID 135962525
trilithium;4-[[4-amino-6-[[5-hydroxy-6-[[2-methoxy-4-[[4-[[2-methoxy-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-methylphenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid;3-[[4-(2,3-dihydroxypropylamino)-6-[[5-hydroxy-6-[[2-methoxy-4-[[2-methoxy-5-methyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]-5-methylphenyl]diazenyl]-7-oxidoperoxysulfanylnaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-hydroxy-6-[[5-hydroxy-6-[[2-methoxy-4-[[2-methoxy-5-methyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-methylphenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 161144892
5-acetamido-2-[[4-[[7-amino-1-hydroxy-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-2,5-bis(2-hydroxyethoxy)phenyl]diazenyl]benzoic acid
CID 135597686
2-amino-6-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;2-amino-5-hydroxy-6-[[4-[(4-isocyanophenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;1-amino-5-hydroxy-6-[[7-sulfo-4-[[5-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-amino-5-hydroxy-6-[[7-sulfo-4-[[5-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;2-amino-5-hydroxy-6-[[7-sulfo-4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 157299530
3-[[4-[[4-[[7-amino-1-hydroxy-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-(2-carboxyethynoxy)-6-sulfonaphthalen-1-yl]diazenyl]-3-(2-carboxyethoxy)-6-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 135995359

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid (CID 159836305) is 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid is Cc1cc(/N=N/c2c(SOOO)cc3ccc(NCCS(=O)(=O)O)cc3c2O)c(OCC(O)CO)cc1/N=N/c1ccc(/N=N/c2ccc3ncccc3c2)c2cc(SOOO)ccc12.Cc1cc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)ccc1/N=N/c1ccc2c(c1)C(=O)NC2=O.Cc1cc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4ccc(Nc5ccc(C(=O)O)cc5)cc4c3O)c3cc(S(=O)(=O)O)ccc23)ccc1/N=N/c1ccc2c(c1)C(=O)NC2=O.Cc1ccc2cc(SOOO)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc6[nH]c(=O)[nH]c6c5)c5ccc(S(=O)(=O)O)cc45)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4cc5ccccc5cn4)c4cc(SOOO)ccc34)c(SOOO)cc2cc1S(=O)(=O)O.
What is the InChIKey of 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is NOCTZBXZMVGKON-JFNFTKGZSA-N. The full InChI is InChI=1S/C42H28N8O11S2.C41H36N8O13S3.C38H26N8O11S3.C35H24N8O12S3.C29H20N6O10S3/c1-21-16-26(9-13-34(21)47-46-27-8-11-30-33(19-27)41(53)44-40(30)52)45-48-35-14-15-36(32-20-28(63(57,58)59)10-12-29(32)35)49-50-38-37(62-61-60-56)17-23-4-7-25(18-31(23)39(38)51)43-24-5-2-22(3-6-24)42(54)55;1-23-15-37(48-49-40-39(64-62-60-54)17-24-4-5-26(18-31(24)41(40)52)42-13-14-65(55,56)57)38(58-22-28(51)21-50)20-36(23)47-46-34-10-11-35(32-19-29(63-61-59-53)7-8-30(32)34)45-44-27-6-9-33-25(16-27)3-2-12-43-33;1-19-2-3-20-15-35(58-57-56-49)36(37(47)26(20)14-19)46-45-32-13-11-30(25-8-6-23(18-28(25)32)60(53,54)55)43-44-31-12-10-29(24-7-5-22(17-27(24)31)59(50,51)52)42-41-21-4-9-33-34(16-21)40-38(48)39-33;1-16-10-18(3-7-27(16)40-39-19-2-5-22-25(13-19)35(46)37-34(22)45)38-41-28-8-9-29(24-14-20(57(48,49)50)4-6-21(24)28)42-43-32-30(56-55-54-47)11-17-12-31(58(51,52)53)26(36)15-23(17)33(32)44;30-22-13-20-17(10-26(22)48(39,40)41)9-25(47-45-43-38)28(29(20)36)35-33-23-7-8-24(21-12-18(46-44-42-37)5-6-19(21)23)32-34-27-11-15-3-1-2-4-16(15)14-31-27/h2-20,43,51,56H,1H3,(H,54,55)(H,44,52,53)(H,57,58,59);2-12,15-20,28,42,50-54H,13-14,21-22H2,1H3,(H,55,56,57);2-18,47,49H,1H3,(H2,39,40,48)(H,50,51,52)(H,53,54,55);2-15,44,47H,36H2,1H3,(H,37,45,46)(H,48,49,50)(H,51,52,53);1-14,36-38H,30H2,(H,39,40,41)/b47-46+,48-45+,50-49+;45-44+,47-46+,49-48+;42-41+,44-43+,46-45+;40-39+,41-38+,43-42+;34-32+,35-33+.
What are the key properties of 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid?
3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 4250.25 g/mol, XLogP of 49.84, 66 rotatable bonds, 30 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-(isoquinolin-3-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;2-[[7-[[2-(2,3-dihydroxypropoxy)-5-methyl-4-[[4-(quinolin-6-yldiazenyl)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]ethanesulfonic acid;4-[[7-[[4-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzoic acid;8-[[4-[[1-hydroxy-7-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 159836305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).