7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid

C62H47N11O26S7 — CID 59745733

IUPAC7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
SMILESCc1cc(/N=N/c2c(OS(=O)O)cc3cc(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(OS(=O)O)cc2cc(OS(=O)O)cc(O)c12
InChIInChI=1S/C62H47N11O26S7/c1-31-20-47(50(92-18-7-19-100-98-96-78)30-46(31)67-69-48-27-38(93-102(80)81)23-34-24-39(94-103(82)83)28-49(74)55(34)48)68-71-57-51(95-104(84)85)25-32-21-36(12-14-40(32)60(57)75)64-70-56-43-29-54(106(89,90)91)59(62(77)42(43)16-17-45(56)63-35-8-3-2-4-9-35)73-65-37-13-15-41-33(22-37)26-52(101-99-97-79)58(61(41)76)72-66-44-10-5-6-11-53(44)105(86,87)88/h2-6,8-17,20-30,63,74-79H,7,18-19H2,1H3,(H,80,81)(H,82,83)(H,84,85)(H,86,87,88)(H,89,90,91)/b69-67+,70-64+,71-68+,72-66+,73-65+
InChIKeyLGQZVIPQGIALMQ-DIUAHYAXSA-N
MW1586.58 g/mol
LogP17.56
Rot. Bonds30

About 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid

7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid (PubChem CID 59745733) has the molecular formula C62H47N11O26S7 and a molecular weight of 1586.58 g/mol. Its IUPAC name is 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
PubChem CID59745733
Molecular FormulaC62H47N11O26S7
Molecular Weight1586.58 g/mol
Exact Mass1585.07
IUPAC Name7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
SMILESCc1cc(/N=N/c2c(OS(=O)O)cc3cc(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(OS(=O)O)cc2cc(OS(=O)O)cc(O)c12
InChIInChI=1S/C62H47N11O26S7/c1-31-20-47(50(92-18-7-19-100-98-96-78)30-46(31)67-69-48-27-38(93-102(80)81)23-34-24-39(94-103(82)83)28-49(74)55(34)48)68-71-57-51(95-104(84)85)25-32-21-36(12-14-40(32)60(57)75)64-70-56-43-29-54(106(89,90)91)59(62(77)42(43)16-17-45(56)63-35-8-3-2-4-9-35)73-65-37-13-15-41-33(22-37)26-52(101-99-97-79)58(61(41)76)72-66-44-10-5-6-11-53(44)105(86,87)88/h2-6,8-17,20-30,63,74-79H,7,18-19H2,1H3,(H,80,81)(H,82,83)(H,84,85)(H,86,87,88)(H,89,90,91)/b69-67+,70-64+,71-68+,72-66+,73-65+
InChIKeyLGQZVIPQGIALMQ-DIUAHYAXSA-N
XLogP17.56
TPSA551.49 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001586.58
LogP ≤ 517.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 158606016
4-[3-[[1-hydroxy-7-[[1-hydroxy-5-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-6-(methylamino)-3-sulfonaphthalen-2-yl]diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]anilino]benzoic acid
CID 121389231
8-amino-7-anilino-4-hydroxy-3-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid;2-diazenyl-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-(trioxidanylsulfanyloxy)phenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 159584160
4-hydroxy-5-[[5-(2-hydroxyethoxy)-4-[[1-hydroxy-7-[[5-hydroxy-6-[[5-hydroxy-6-[[5-(methoxymethylideneamino)-2-sulfophenyl]diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-2-(3-sulfopropylamino)-7-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 58667376
2-[[2-(4-amino-3-sulfoanilino)-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 58667363
2-[[2-(4-amino-3-sulfoanilino)-6-[[6-[(2,4-disulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 121389170
4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid
CID 91867592
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
4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;molecular hydrogen
CID 159760951
7-anilino-3-[[4-[(2,5-dimethyl-4-phenyldiazenylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136995279
3-amino-6-[[2-(2,3-dihydroxypropoxy)-4-[(3-isocyanophenyl)diazenyl]-5-methylphenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135962583
6-amino-2-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-anilino-2-[[2-hydroxy-4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-(anilinomethoxy)-2-[[2-hydroxy-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;copper;7-[[4-[[6-[(2,4-dihydroxyphenyl)diazenyl]-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;4-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzene-1,3-diol;2-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)-2-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol
CID 163498533

Frequently Asked Questions

What is the IUPAC name of 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid (CID 59745733) is 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid is Cc1cc(/N=N/c2c(OS(=O)O)cc3cc(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(OS(=O)O)cc2cc(OS(=O)O)cc(O)c12.
What is the InChIKey of 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is LGQZVIPQGIALMQ-DIUAHYAXSA-N. The full InChI is InChI=1S/C62H47N11O26S7/c1-31-20-47(50(92-18-7-19-100-98-96-78)30-46(31)67-69-48-27-38(93-102(80)81)23-34-24-39(94-103(82)83)28-49(74)55(34)48)68-71-57-51(95-104(84)85)25-32-21-36(12-14-40(32)60(57)75)64-70-56-43-29-54(106(89,90)91)59(62(77)42(43)16-17-45(56)63-35-8-3-2-4-9-35)73-65-37-13-15-41-33(22-37)26-52(101-99-97-79)58(61(41)76)72-66-44-10-5-6-11-53(44)105(86,87)88/h2-6,8-17,20-30,63,74-79H,7,18-19H2,1H3,(H,80,81)(H,82,83)(H,84,85)(H,86,87,88)(H,89,90,91)/b69-67+,70-64+,71-68+,72-66+,73-65+.
What are the key properties of 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid?
7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 1586.58 g/mol, XLogP of 17.56, 30 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 59745733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).