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

C195H148N36O75S18 — CID 159906734

IUPAC3-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
SMILESCCOc1cc(/N=N/c2cccc(C(=O)O)c2)c(/N=C/Oc2ccccc2)cc1/N=N/c1c(SOOO)cc2ccc(Nc3ccc(C(=O)O)cc3)cc2c1O.CO/C=N/c1cc(/N=N/c2c(SOOO)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c(OC)cc1/N=N/c1ccc(SOOO)c2cc(SOOO)cc(O)c12.COc1cc(/N=N/c2c(SOOO)cc3ccc(Nc4cccc(C(=O)O)c4)cc3c2O)c(OC)cc1/N=N/c1ccc(N)c(SOOO)c1.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(C(=O)Nc5ccc6c(O)cc(SOOO)cc6c5)cc4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(Nc5ccccc5)c(SOOO)c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O.[C-]#[N+]c1cccc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)c1
InChIInChI=1S/C39H30N6O10S.C37H26N6O15S4.C32H24N6O13S4.C31H26N6O11S2.C29H24N6O16S4.C27H18N6O10S3/c1-2-52-34-21-32(43-42-28-8-6-7-25(17-28)39(49)50)31(40-22-53-29-9-4-3-5-10-29)20-33(34)44-45-36-35(56-55-54-51)18-24-13-16-27(19-30(24)37(36)46)41-26-14-11-23(12-15-26)38(47)48;38-29-17-27-20(14-34(29)62(52,53)54)13-33(60-58-56-48)35(36(27)45)43-42-31-10-9-30(26-8-6-24(16-28(26)31)61(49,50)51)41-40-21-3-1-18(2-4-21)37(46)39-22-5-7-25-19(11-22)12-23(15-32(25)44)59-57-55-47;33-24-16-22-17(13-30(24)55(45,46)47)12-29(53-51-49-41)31(32(22)39)38-37-26-11-10-25(21-8-7-20(15-23(21)26)54(42,43)44)36-35-19-6-9-27(28(14-19)52-50-48-40)34-18-4-2-1-3-5-18;1-43-25-15-24(26(44-2)14-23(25)35-34-20-8-9-22(32)27(13-20)49-47-45-41)36-37-29-28(50-48-46-42)11-16-6-7-19(12-21(16)30(29)38)33-18-5-3-4-17(10-18)31(39)40;1-44-12-31-19-10-21(34-35-28-25(54-51-48-40)5-13-6-26(55(41,42)43)17(30)9-15(13)29(28)37)23(45-2)11-20(19)33-32-18-3-4-24(53-50-47-39)16-7-14(52-49-46-38)8-22(36)27(16)18;1-29-15-3-2-4-16(11-15)30-31-22-7-8-23(20-12-17(45(36,37)38)5-6-18(20)22)32-33-26-24(44-43-42-35)9-14-10-25(46(39,40)41)21(28)13-19(14)27(26)34/h3-22,41,46,51H,2H2,1H3,(H,47,48)(H,49,50);1-17,44-45,47-48H,38H2,(H,39,46)(H,49,50,51)(H,52,53,54);1-16,34,39-41H,33H2,(H,42,43,44)(H,45,46,47);3-15,33,38,41-42H,32H2,1-2H3,(H,39,40);3-12,36-40H,30H2,1-2H3,(H,41,42,43);2-13,34-35H,28H2,(H,36,37,38)(H,39,40,41)/b40-22+,43-42+,45-44+;41-40+,43-42+;36-35+,38-37+;35-34+,37-36+;31-12+,33-32+,35-34+;31-30+,33-32+
InChIKeyNWRAQFBQGBSYKT-CXOVTPAZSA-N
MW4772.71 g/mol
LogP55.38
Rot. Bonds85

About 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

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 (PubChem CID 159906734) has the molecular formula C195H148N36O75S18 and a molecular weight of 4772.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159906734
Molecular FormulaC195H148N36O75S18
Molecular Weight4772.71 g/mol
Exact Mass4768.38
IUPAC Name3-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
SMILESCCOc1cc(/N=N/c2cccc(C(=O)O)c2)c(/N=C/Oc2ccccc2)cc1/N=N/c1c(SOOO)cc2ccc(Nc3ccc(C(=O)O)cc3)cc2c1O.CO/C=N/c1cc(/N=N/c2c(SOOO)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c(OC)cc1/N=N/c1ccc(SOOO)c2cc(SOOO)cc(O)c12.COc1cc(/N=N/c2c(SOOO)cc3ccc(Nc4cccc(C(=O)O)c4)cc3c2O)c(OC)cc1/N=N/c1ccc(N)c(SOOO)c1.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(C(=O)Nc5ccc6c(O)cc(SOOO)cc6c5)cc4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(Nc5ccccc5)c(SOOO)c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O.[C-]#[N+]c1cccc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)c1
InChIInChI=1S/C39H30N6O10S.C37H26N6O15S4.C32H24N6O13S4.C31H26N6O11S2.C29H24N6O16S4.C27H18N6O10S3/c1-2-52-34-21-32(43-42-28-8-6-7-25(17-28)39(49)50)31(40-22-53-29-9-4-3-5-10-29)20-33(34)44-45-36-35(56-55-54-51)18-24-13-16-27(19-30(24)37(36)46)41-26-14-11-23(12-15-26)38(47)48;38-29-17-27-20(14-34(29)62(52,53)54)13-33(60-58-56-48)35(36(27)45)43-42-31-10-9-30(26-8-6-24(16-28(26)31)61(49,50)51)41-40-21-3-1-18(2-4-21)37(46)39-22-5-7-25-19(11-22)12-23(15-32(25)44)59-57-55-47;33-24-16-22-17(13-30(24)55(45,46)47)12-29(53-51-49-41)31(32(22)39)38-37-26-11-10-25(21-8-7-20(15-23(21)26)54(42,43)44)36-35-19-6-9-27(28(14-19)52-50-48-40)34-18-4-2-1-3-5-18;1-43-25-15-24(26(44-2)14-23(25)35-34-20-8-9-22(32)27(13-20)49-47-45-41)36-37-29-28(50-48-46-42)11-16-6-7-19(12-21(16)30(29)38)33-18-5-3-4-17(10-18)31(39)40;1-44-12-31-19-10-21(34-35-28-25(54-51-48-40)5-13-6-26(55(41,42)43)17(30)9-15(13)29(28)37)23(45-2)11-20(19)33-32-18-3-4-24(53-50-47-39)16-7-14(52-49-46-38)8-22(36)27(16)18;1-29-15-3-2-4-16(11-15)30-31-22-7-8-23(20-12-17(45(36,37)38)5-6-18(20)22)32-33-26-24(44-43-42-35)9-14-10-25(46(39,40)41)21(28)13-19(14)27(26)34/h3-22,41,46,51H,2H2,1H3,(H,47,48)(H,49,50);1-17,44-45,47-48H,38H2,(H,39,46)(H,49,50,51)(H,52,53,54);1-16,34,39-41H,33H2,(H,42,43,44)(H,45,46,47);3-15,33,38,41-42H,32H2,1-2H3,(H,39,40);3-12,36-40H,30H2,1-2H3,(H,41,42,43);2-13,34-35H,28H2,(H,36,37,38)(H,39,40,41)/b40-22+,43-42+,45-44+;41-40+,43-42+;36-35+,38-37+;35-34+,37-36+;31-12+,33-32+,35-34+;31-30+,33-32+
InChIKeyNWRAQFBQGBSYKT-CXOVTPAZSA-N
XLogP55.38
TPSA1656.31 Ų
H-Bond Donors38
H-Bond Acceptors110
Rotatable Bonds85
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004772.71
LogP ≤ 555.38
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 10110

Analyze 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 with MolForge

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Related Compounds

3-amino-6-[[2-(2,3-dihydroxypropoxy)-4-[(3-isocyanophenyl)diazenyl]-5-methylphenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135962583
5-[[4-[[7-amino-1-hydroxy-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid
CID 135962525
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-[[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
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
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
3-[[4-[[7-amino-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-ethoxy-2-ethynoxyphenyl]diazenyl]benzoic acid
CID 135984750
7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[5-methyl-2-(3-sulfopropoxy)-4-[[4-[[7-sulfo-5-(3-sulfopropoxy)naphthalen-2-yl]carbamoyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 137194810
3-amino-6-[[4-[(4-butylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-6-[[4-[(2-chloro-4-isocyanophenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-6-[[4-[[3-(2,3-dihydroxypropoxy)phenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-6-[[4-[(4-fluorophenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;3-amino-5-hydroxy-6-[[4-[(4-isocyano-2-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 158413407
4-[[4-[[4-[[4-[(6-benzamido-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 145189854
7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[4-[[7-sulfo-5-(3-sulfopropoxy)naphthalen-2-yl]carbamoyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 137194770
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1cc(/N=N/c2cccc(C(=O)O)c2)c(/N=C/Oc2ccccc2)cc1/N=N/c1c(SOOO)cc2ccc(Nc3ccc(C(=O)O)cc3)cc2c1O.CO/C=N/c1cc(/N=N/c2c(SOOO)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c(OC)cc1/N=N/c1ccc(SOOO)c2cc(SOOO)cc(O)c12.COc1cc(/N=N/c2c(SOOO)cc3ccc(Nc4cccc(C(=O)O)c4)cc3c2O)c(OC)cc1/N=N/c1ccc(N)c(SOOO)c1.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(C(=O)Nc5ccc6c(O)cc(SOOO)cc6c5)cc4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O.Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(Nc5ccccc5)c(SOOO)c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O.[C-]#[N+]c1cccc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)c1.
What is the InChIKey of 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?
The InChIKey is NWRAQFBQGBSYKT-CXOVTPAZSA-N. The full InChI is InChI=1S/C39H30N6O10S.C37H26N6O15S4.C32H24N6O13S4.C31H26N6O11S2.C29H24N6O16S4.C27H18N6O10S3/c1-2-52-34-21-32(43-42-28-8-6-7-25(17-28)39(49)50)31(40-22-53-29-9-4-3-5-10-29)20-33(34)44-45-36-35(56-55-54-51)18-24-13-16-27(19-30(24)37(36)46)41-26-14-11-23(12-15-26)38(47)48;38-29-17-27-20(14-34(29)62(52,53)54)13-33(60-58-56-48)35(36(27)45)43-42-31-10-9-30(26-8-6-24(16-28(26)31)61(49,50)51)41-40-21-3-1-18(2-4-21)37(46)39-22-5-7-25-19(11-22)12-23(15-32(25)44)59-57-55-47;33-24-16-22-17(13-30(24)55(45,46)47)12-29(53-51-49-41)31(32(22)39)38-37-26-11-10-25(21-8-7-20(15-23(21)26)54(42,43)44)36-35-19-6-9-27(28(14-19)52-50-48-40)34-18-4-2-1-3-5-18;1-43-25-15-24(26(44-2)14-23(25)35-34-20-8-9-22(32)27(13-20)49-47-45-41)36-37-29-28(50-48-46-42)11-16-6-7-19(12-21(16)30(29)38)33-18-5-3-4-17(10-18)31(39)40;1-44-12-31-19-10-21(34-35-28-25(54-51-48-40)5-13-6-26(55(41,42)43)17(30)9-15(13)29(28)37)23(45-2)11-20(19)33-32-18-3-4-24(53-50-47-39)16-7-14(52-49-46-38)8-22(36)27(16)18;1-29-15-3-2-4-16(11-15)30-31-22-7-8-23(20-12-17(45(36,37)38)5-6-18(20)22)32-33-26-24(44-43-42-35)9-14-10-25(46(39,40)41)21(28)13-19(14)27(26)34/h3-22,41,46,51H,2H2,1H3,(H,47,48)(H,49,50);1-17,44-45,47-48H,38H2,(H,39,46)(H,49,50,51)(H,52,53,54);1-16,34,39-41H,33H2,(H,42,43,44)(H,45,46,47);3-15,33,38,41-42H,32H2,1-2H3,(H,39,40);3-12,36-40H,30H2,1-2H3,(H,41,42,43);2-13,34-35H,28H2,(H,36,37,38)(H,39,40,41)/b40-22+,43-42+,45-44+;41-40+,43-42+;36-35+,38-37+;35-34+,37-36+;31-12+,33-32+,35-34+;31-30+,33-32+.
What are the key properties of 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?
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 has a molecular weight of 4772.71 g/mol, XLogP of 55.38, 85 rotatable bonds, 38 hydrogen bond donors, and 110 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159906734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).