5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)

C206H197N39O69S17 — CID 157096304

IUPAC5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)
SMILESCC(=O)Nc1ccc(/N=N/c2cc(OCCCS(=O)(=O)O)c(/N=N/c3ccc(/N=N/c4ccc5cc(Nc6ccc(N)c(S(=O)(=O)O)c6)ccc5c4O)cc3C)cc2C)c(S(=O)(=O)O)c1.CCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccc4cc(Nc5ccc(OC)cc5)ccc4c3O)cc2C)c(C)cc1/N=N/c1ccc(OC)cc1S(=O)(=O)O.CCCOc1cc(/N=N/c2ccc3cc(Nc4ccc(OC)cc4)ccc3c2O)c(C)cc1/N=N/c1cc(C)c(/N=N/c2ccc(OC)cc2S(=O)(=O)O)cc1C.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(C)c(/N=N/c5cc(C)c(/N=N/c6ccc(C(=O)O)cc6S(=O)(=O)O)cc5OCCCS(=O)(=O)O)cc4C)ccc3c2)cc1.Cc1cc(/N=N/c2ccc3cc(Nc4ccc(N)c(S(=O)(=O)O)c4)ccc3c2O)ccc1/N=N/c1cc(C)c(/N=N/c2ccc(N)cc2S(=O)(=O)O)cc1OCCCS(=O)(=O)O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C42H39N7O11S2.2C42H41N7O7S.C41H39N9O12S3.C39H37N9O11S3.7O3S/c1-24-19-36(25(2)18-35(24)46-45-34-15-6-27-21-30(10-13-32(27)41(34)50)43-29-8-11-31(59-4)12-9-29)47-49-38-20-26(3)37(23-39(38)60-16-5-17-61(53,54)55)48-44-33-14-7-28(42(51)52)22-40(33)62(56,57)58;1-7-18-56-40-24-38(27(4)21-39(40)49-44-34-17-14-32(55-6)23-41(34)57(51,52)53)48-47-37-20-25(2)36(19-26(37)3)46-45-35-16-8-28-22-30(11-15-33(28)42(35)50)43-29-9-12-31(54-5)13-10-29;1-7-18-56-40-24-38(48-45-35-16-8-28-22-30(11-15-33(28)42(35)50)43-29-9-12-31(54-5)13-10-29)27(4)21-39(40)49-47-37-20-25(2)36(19-26(37)3)46-44-34-17-14-32(55-6)23-41(34)57(51,52)53;1-23-17-30(45-48-35-12-5-26-19-27(6-10-31(26)41(35)52)44-29-7-11-32(42)39(20-29)64(56,57)58)9-13-33(23)46-50-37-18-24(2)36(22-38(37)62-15-4-16-63(53,54)55)49-47-34-14-8-28(43-25(3)51)21-40(34)65(59,60)61;1-22-16-28(43-46-33-11-4-24-18-26(6-9-29(24)39(33)49)42-27-7-10-30(41)37(20-27)61(53,54)55)8-13-31(22)44-48-35-17-23(2)34(21-36(35)59-14-3-15-60(50,51)52)47-45-32-12-5-25(40)19-38(32)62(56,57)58;7*1-4(2)3/h6-15,18-23,43,50H,5,16-17H2,1-4H3,(H,51,52)(H,53,54,55)(H,56,57,58);2*8-17,19-24,43,50H,7,18H2,1-6H3,(H,51,52,53);5-14,17-22,44,52H,4,15-16,42H2,1-3H3,(H,43,51)(H,53,54,55)(H,56,57,58)(H,59,60,61);4-13,16-21,42,49H,3,14-15,40-41H2,1-2H3,(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;;;/b46-45+,48-44+,49-47+;46-45+,48-47+,49-44+;46-44+,48-45+,49-47+;48-45+,49-47+,50-46+;46-43+,47-45+,48-44+;;;;;;;
InChIKeyAFGCLEWBJJIDBU-XDAFKSKESA-N
MW4868.19 g/mol
LogP48.38
Rot. Bonds75

About 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)

5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide) (PubChem CID 157096304) has the molecular formula C206H197N39O69S17 and a molecular weight of 4868.19 g/mol. Its IUPAC name is 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide).

Molecular Properties

Compound Name5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)
PubChem CID157096304
Molecular FormulaC206H197N39O69S17
Molecular Weight4868.19 g/mol
Exact Mass4863.84
IUPAC Name5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)
SMILESCC(=O)Nc1ccc(/N=N/c2cc(OCCCS(=O)(=O)O)c(/N=N/c3ccc(/N=N/c4ccc5cc(Nc6ccc(N)c(S(=O)(=O)O)c6)ccc5c4O)cc3C)cc2C)c(S(=O)(=O)O)c1.CCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccc4cc(Nc5ccc(OC)cc5)ccc4c3O)cc2C)c(C)cc1/N=N/c1ccc(OC)cc1S(=O)(=O)O.CCCOc1cc(/N=N/c2ccc3cc(Nc4ccc(OC)cc4)ccc3c2O)c(C)cc1/N=N/c1cc(C)c(/N=N/c2ccc(OC)cc2S(=O)(=O)O)cc1C.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(C)c(/N=N/c5cc(C)c(/N=N/c6ccc(C(=O)O)cc6S(=O)(=O)O)cc5OCCCS(=O)(=O)O)cc4C)ccc3c2)cc1.Cc1cc(/N=N/c2ccc3cc(Nc4ccc(N)c(S(=O)(=O)O)c4)ccc3c2O)ccc1/N=N/c1cc(C)c(/N=N/c2ccc(N)cc2S(=O)(=O)O)cc1OCCCS(=O)(=O)O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C42H39N7O11S2.2C42H41N7O7S.C41H39N9O12S3.C39H37N9O11S3.7O3S/c1-24-19-36(25(2)18-35(24)46-45-34-15-6-27-21-30(10-13-32(27)41(34)50)43-29-8-11-31(59-4)12-9-29)47-49-38-20-26(3)37(23-39(38)60-16-5-17-61(53,54)55)48-44-33-14-7-28(42(51)52)22-40(33)62(56,57)58;1-7-18-56-40-24-38(27(4)21-39(40)49-44-34-17-14-32(55-6)23-41(34)57(51,52)53)48-47-37-20-25(2)36(19-26(37)3)46-45-35-16-8-28-22-30(11-15-33(28)42(35)50)43-29-9-12-31(54-5)13-10-29;1-7-18-56-40-24-38(48-45-35-16-8-28-22-30(11-15-33(28)42(35)50)43-29-9-12-31(54-5)13-10-29)27(4)21-39(40)49-47-37-20-25(2)36(19-26(37)3)46-44-34-17-14-32(55-6)23-41(34)57(51,52)53;1-23-17-30(45-48-35-12-5-26-19-27(6-10-31(26)41(35)52)44-29-7-11-32(42)39(20-29)64(56,57)58)9-13-33(23)46-50-37-18-24(2)36(22-38(37)62-15-4-16-63(53,54)55)49-47-34-14-8-28(43-25(3)51)21-40(34)65(59,60)61;1-22-16-28(43-46-33-11-4-24-18-26(6-9-29(24)39(33)49)42-27-7-10-30(41)37(20-27)61(53,54)55)8-13-31(22)44-48-35-17-23(2)34(21-36(35)59-14-3-15-60(50,51)52)47-45-32-12-5-25(40)19-38(32)62(56,57)58;7*1-4(2)3/h6-15,18-23,43,50H,5,16-17H2,1-4H3,(H,51,52)(H,53,54,55)(H,56,57,58);2*8-17,19-24,43,50H,7,18H2,1-6H3,(H,51,52,53);5-14,17-22,44,52H,4,15-16,42H2,1-3H3,(H,43,51)(H,53,54,55)(H,56,57,58)(H,59,60,61);4-13,16-21,42,49H,3,14-15,40-41H2,1-2H3,(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;;;/b46-45+,48-44+,49-47+;46-45+,48-47+,49-44+;46-44+,48-45+,49-47+;48-45+,49-47+,50-46+;46-43+,47-45+,48-44+;;;;;;;
InChIKeyAFGCLEWBJJIDBU-XDAFKSKESA-N
XLogP48.38
TPSA1671.03 Ų
H-Bond Donors25
H-Bond Acceptors96
Rotatable Bonds75
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004868.19
LogP ≤ 548.38
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1096

Analyze 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide) with MolForge

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Related Compounds

2-amino-5-[[6-[[4-[[2,5-dimethyl-4-[(8-propoxynaphthalen-2-yl)diazenyl]phenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]benzenesulfonic acid;4-amino-N-[5-hydroxy-6-[[3-methyl-4-[[3-methyl-4-[(5-propoxynaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-yl]benzamide;3-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-7-propoxynaphthalene-1,5-disulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-propoxynaphthalene-1-sulfonic acid;3-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-propoxynaphthalene-2-sulfonic acid;6-(4-methoxyanilino)-2-[[3-methyl-4-[[3-methyl-4-[(5-propoxynaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol;heptadecakis(sulfur trioxide)
CID 161086008
8-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-5-[[4-phenyldiazenyl-2-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[3-ethoxy-4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]naphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]benzenesulfonic acid;8-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(hydroxymethyl)benzenesulfonic acid;nonakis(sulfur trioxide)
CID 158859590
2-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxyphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-propoxyphenyl]diazenyl]benzenesulfonic acid
CID 136606702
8-[[6-[(4-aminobenzoyl)amino]-1-hydroxynaphthalen-2-yl]diazenyl]-5-[[5-methyl-4-[(4-propoxynaphthalen-1-yl)diazenyl]-2-(4-sulfobutoxy)phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 140963128
3-[6-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalen-1-yl]oxypropane-1-sulfonic acid
CID 136960775
7-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 140963085
8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)
CID 158135711
3-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]-3-methoxyphenyl]diazenyl]-3-methylbenzoyl]amino]-5-(3-sulfopropoxy)naphthalene-2-sulfonic acid
CID 137194697
3-[[4-[[3,5-dimethyl-4-[[4-[[6-sulfo-8-(4-sulfobutoxy)naphthalen-2-yl]carbamoyl]phenyl]diazenyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7-(4-methoxyanilino)naphthalene-2-sulfonic acid
CID 137194809
2-[[4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzenesulfonic acid;bis(sulfur trioxide)
CID 161394493
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
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

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)?
The IUPAC name of 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide) (CID 157096304) is 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide).
What is the SMILES notation for 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)?
The canonical SMILES for 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide) is CC(=O)Nc1ccc(/N=N/c2cc(OCCCS(=O)(=O)O)c(/N=N/c3ccc(/N=N/c4ccc5cc(Nc6ccc(N)c(S(=O)(=O)O)c6)ccc5c4O)cc3C)cc2C)c(S(=O)(=O)O)c1.CCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccc4cc(Nc5ccc(OC)cc5)ccc4c3O)cc2C)c(C)cc1/N=N/c1ccc(OC)cc1S(=O)(=O)O.CCCOc1cc(/N=N/c2ccc3cc(Nc4ccc(OC)cc4)ccc3c2O)c(C)cc1/N=N/c1cc(C)c(/N=N/c2ccc(OC)cc2S(=O)(=O)O)cc1C.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(C)c(/N=N/c5cc(C)c(/N=N/c6ccc(C(=O)O)cc6S(=O)(=O)O)cc5OCCCS(=O)(=O)O)cc4C)ccc3c2)cc1.Cc1cc(/N=N/c2ccc3cc(Nc4ccc(N)c(S(=O)(=O)O)c4)ccc3c2O)ccc1/N=N/c1cc(C)c(/N=N/c2ccc(N)cc2S(=O)(=O)O)cc1OCCCS(=O)(=O)O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)?
The InChIKey is AFGCLEWBJJIDBU-XDAFKSKESA-N. The full InChI is InChI=1S/C42H39N7O11S2.2C42H41N7O7S.C41H39N9O12S3.C39H37N9O11S3.7O3S/c1-24-19-36(25(2)18-35(24)46-45-34-15-6-27-21-30(10-13-32(27)41(34)50)43-29-8-11-31(59-4)12-9-29)47-49-38-20-26(3)37(23-39(38)60-16-5-17-61(53,54)55)48-44-33-14-7-28(42(51)52)22-40(33)62(56,57)58;1-7-18-56-40-24-38(27(4)21-39(40)49-44-34-17-14-32(55-6)23-41(34)57(51,52)53)48-47-37-20-25(2)36(19-26(37)3)46-45-35-16-8-28-22-30(11-15-33(28)42(35)50)43-29-9-12-31(54-5)13-10-29;1-7-18-56-40-24-38(48-45-35-16-8-28-22-30(11-15-33(28)42(35)50)43-29-9-12-31(54-5)13-10-29)27(4)21-39(40)49-47-37-20-25(2)36(19-26(37)3)46-44-34-17-14-32(55-6)23-41(34)57(51,52)53;1-23-17-30(45-48-35-12-5-26-19-27(6-10-31(26)41(35)52)44-29-7-11-32(42)39(20-29)64(56,57)58)9-13-33(23)46-50-37-18-24(2)36(22-38(37)62-15-4-16-63(53,54)55)49-47-34-14-8-28(43-25(3)51)21-40(34)65(59,60)61;1-22-16-28(43-46-33-11-4-24-18-26(6-9-29(24)39(33)49)42-27-7-10-30(41)37(20-27)61(53,54)55)8-13-31(22)44-48-35-17-23(2)34(21-36(35)59-14-3-15-60(50,51)52)47-45-32-12-5-25(40)19-38(32)62(56,57)58;7*1-4(2)3/h6-15,18-23,43,50H,5,16-17H2,1-4H3,(H,51,52)(H,53,54,55)(H,56,57,58);2*8-17,19-24,43,50H,7,18H2,1-6H3,(H,51,52,53);5-14,17-22,44,52H,4,15-16,42H2,1-3H3,(H,43,51)(H,53,54,55)(H,56,57,58)(H,59,60,61);4-13,16-21,42,49H,3,14-15,40-41H2,1-2H3,(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;;;/b46-45+,48-44+,49-47+;46-45+,48-47+,49-44+;46-44+,48-45+,49-47+;48-45+,49-47+,50-46+;46-43+,47-45+,48-44+;;;;;;;.
What are the key properties of 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)?
5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide) has a molecular weight of 4868.19 g/mol, XLogP of 48.38, 75 rotatable bonds, 25 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide) is sourced from PubChem (CID 157096304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).