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

C145H99N27O61S18 — CID 157299530

IUPAC2-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
SMILESNc1c(S(=O)(=O)O)ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(SOOO)cccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc12.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(SOOO)cccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(c4)C(=O)NC5=O)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5cc(SOOO)ccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.[C-]#[N+]c1ccc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4c(S(=O)(=O)O)c(N)ccc4c3O)c3cc(S(=O)(=O)O)ccc23)cc1
InChIInChI=1S/3C30H21N5O13S4.C28H18N6O12S3.C27H18N6O10S3/c31-24-8-7-21-23(30(24)52(42,43)44)14-27(50-48-46-38)28(29(21)36)35-34-26-10-9-25(20-6-5-19(13-22(20)26)51(39,40)41)33-32-17-3-1-16-12-18(49-47-45-37)4-2-15(16)11-17;31-28-22-14-26(50-48-46-38)29(30(36)20(22)8-11-27(28)52(42,43)44)35-34-24-10-9-23(19-7-5-17(13-21(19)24)51(39,40)41)33-32-16-4-6-18-15(12-16)2-1-3-25(18)49-47-45-37;31-23-9-8-20-22(30(23)52(42,43)44)14-27(50-48-46-38)28(29(20)36)35-34-25-11-10-24(19-7-5-17(13-21(19)25)51(39,40)41)33-32-16-4-6-18-15(12-16)2-1-3-26(18)49-47-45-37;29-20-6-5-15-18(26(20)49(42,43)44)11-23(47-46-45-38)24(25(15)35)34-33-22-8-7-21(14-4-2-13(10-17(14)22)48(39,40)41)32-31-12-1-3-16-19(9-12)28(37)30-27(16)36;1-29-14-2-4-15(5-3-14)30-31-22-10-11-23(19-12-16(45(36,37)38)6-7-17(19)22)32-33-25-24(44-43-42-35)13-20-18(26(25)34)8-9-21(28)27(20)46(39,40)41/h3*1-14,36-38H,31H2,(H,39,40,41)(H,42,43,44);1-11,35,38H,29H2,(H,30,36,37)(H,39,40,41)(H,42,43,44);2-13,34-35H,28H2,(H,36,37,38)(H,39,40,41)/b3*33-32+,35-34+;32-31+,34-33+;31-30+,33-32+
InChIKeyBBSUUUWEZPGZGS-BNSWZMBMSA-N
MW3772.72 g/mol
LogP39.35
Rot. Bonds54

About 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

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 (PubChem CID 157299530) has the molecular formula C145H99N27O61S18 and a molecular weight of 3772.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157299530
Molecular FormulaC145H99N27O61S18
Molecular Weight3772.72 g/mol
Exact Mass3769.04
IUPAC Name2-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
SMILESNc1c(S(=O)(=O)O)ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(SOOO)cccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc12.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(SOOO)cccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(c4)C(=O)NC5=O)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5cc(SOOO)ccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.[C-]#[N+]c1ccc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4c(S(=O)(=O)O)c(N)ccc4c3O)c3cc(S(=O)(=O)O)ccc23)cc1
InChIInChI=1S/3C30H21N5O13S4.C28H18N6O12S3.C27H18N6O10S3/c31-24-8-7-21-23(30(24)52(42,43)44)14-27(50-48-46-38)28(29(21)36)35-34-26-10-9-25(20-6-5-19(13-22(20)26)51(39,40)41)33-32-17-3-1-16-12-18(49-47-45-37)4-2-15(16)11-17;31-28-22-14-26(50-48-46-38)29(30(36)20(22)8-11-27(28)52(42,43)44)35-34-24-10-9-23(19-7-5-17(13-21(19)24)51(39,40)41)33-32-16-4-6-18-15(12-16)2-1-3-25(18)49-47-45-37;31-23-9-8-20-22(30(23)52(42,43)44)14-27(50-48-46-38)28(29(20)36)35-34-25-11-10-24(19-7-5-17(13-21(19)25)51(39,40)41)33-32-16-4-6-18-15(12-16)2-1-3-26(18)49-47-45-37;29-20-6-5-15-18(26(20)49(42,43)44)11-23(47-46-45-38)24(25(15)35)34-33-22-8-7-21(14-4-2-13(10-17(14)22)48(39,40)41)32-31-12-1-3-16-19(9-12)28(37)30-27(16)36;1-29-14-2-4-15(5-3-14)30-31-22-10-11-23(19-12-16(45(36,37)38)6-7-17(19)22)32-33-25-24(44-43-42-35)13-20-18(26(25)34)8-9-21(28)27(20)46(39,40)41/h3*1-14,36-38H,31H2,(H,39,40,41)(H,42,43,44);1-11,35,38H,29H2,(H,30,36,37)(H,39,40,41)(H,42,43,44);2-13,34-35H,28H2,(H,36,37,38)(H,39,40,41)/b3*33-32+,35-34+;32-31+,34-33+;31-30+,33-32+
InChIKeyBBSUUUWEZPGZGS-BNSWZMBMSA-N
XLogP39.35
TPSA1382.20 Ų
H-Bond Donors29
H-Bond Acceptors84
Rotatable Bonds54
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003772.72
LogP ≤ 539.35
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1084

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-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
5-hydroxy-6-[[2-sulfo-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135992914
5-[[4-[[7-amino-1-hydroxy-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid
CID 135962525
2-[[6-[[8-amino-7-[[6-[(2-carboxy-4-sulfamoylphenyl)diazenyl]-5-hydroxy-1,7-disulfonaphthalen-2-yl]diazenyl]-1-hydroxy-5-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-aminoperoxysulfanylbenzoic acid
CID 58982746
2-[[1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-[(4-sulfophenyl)diazenyl]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 135979748
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
2-[[1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 135982484
2-[[6-[[8-amino-7-[[6-[(2-carboxy-4-sulfamoylphenyl)diazenyl]-5-hydroxy-1,7-disulfonaphthalen-2-yl]diazenyl]-1-hydroxy-5-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-1-hydroxy-5-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-aminoperoxysulfanylbenzoic acid
CID 58982741
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
8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 162697049
6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 4189029

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1c(S(=O)(=O)O)ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(SOOO)cccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc12.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(SOOO)cccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5c(c4)C(=O)NC5=O)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc5cc(SOOO)ccc5c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1S(=O)(=O)O.[C-]#[N+]c1ccc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4c(S(=O)(=O)O)c(N)ccc4c3O)c3cc(S(=O)(=O)O)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is BBSUUUWEZPGZGS-BNSWZMBMSA-N. The full InChI is InChI=1S/3C30H21N5O13S4.C28H18N6O12S3.C27H18N6O10S3/c31-24-8-7-21-23(30(24)52(42,43)44)14-27(50-48-46-38)28(29(21)36)35-34-26-10-9-25(20-6-5-19(13-22(20)26)51(39,40)41)33-32-17-3-1-16-12-18(49-47-45-37)4-2-15(16)11-17;31-28-22-14-26(50-48-46-38)29(30(36)20(22)8-11-27(28)52(42,43)44)35-34-24-10-9-23(19-7-5-17(13-21(19)24)51(39,40)41)33-32-16-4-6-18-15(12-16)2-1-3-25(18)49-47-45-37;31-23-9-8-20-22(30(23)52(42,43)44)14-27(50-48-46-38)28(29(20)36)35-34-25-11-10-24(19-7-5-17(13-21(19)25)51(39,40)41)33-32-16-4-6-18-15(12-16)2-1-3-26(18)49-47-45-37;29-20-6-5-15-18(26(20)49(42,43)44)11-23(47-46-45-38)24(25(15)35)34-33-22-8-7-21(14-4-2-13(10-17(14)22)48(39,40)41)32-31-12-1-3-16-19(9-12)28(37)30-27(16)36;1-29-14-2-4-15(5-3-14)30-31-22-10-11-23(19-12-16(45(36,37)38)6-7-17(19)22)32-33-25-24(44-43-42-35)13-20-18(26(25)34)8-9-21(28)27(20)46(39,40)41/h3*1-14,36-38H,31H2,(H,39,40,41)(H,42,43,44);1-11,35,38H,29H2,(H,30,36,37)(H,39,40,41)(H,42,43,44);2-13,34-35H,28H2,(H,36,37,38)(H,39,40,41)/b3*33-32+,35-34+;32-31+,34-33+;31-30+,33-32+.
What are the key properties of 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?
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 has a molecular weight of 3772.72 g/mol, XLogP of 39.35, 54 rotatable bonds, 29 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157299530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).