disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate

C34H26N6Na2O8S2 — CID 135995385

IUPACdisodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
SMILESCc1cc(-c2ccc(/N=N/c3c(N)ccc4cc(S(=O)(=O)[O-])cc(O)c34)c(C)c2)ccc1/N=N/c1c(N)ccc2cc(SOO[O-])cc(O)c12.[Na+].[Na+]
InChIInChI=1S/C34H28N6O8S2.2Na/c1-17-11-19(5-9-27(17)37-39-33-25(35)7-3-21-13-23(49-48-47-43)15-29(41)31(21)33)20-6-10-28(18(2)12-20)38-40-34-26(36)8-4-22-14-24(50(44,45)46)16-30(42)32(22)34;;/h3-16,41-43H,35-36H2,1-2H3,(H,44,45,46);;/q;2*+1/p-2/b39-37+,40-38+;;
InChIKeyWKPBVRYHFSXNGB-DVDDBBOFSA-L
MW756.73 g/mol
LogP1.83
Rot. Bonds9

About disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate

disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate (PubChem CID 135995385) has the molecular formula C34H26N6Na2O8S2 and a molecular weight of 756.73 g/mol. Its IUPAC name is disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.

Molecular Properties

Compound Namedisodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
PubChem CID135995385
Molecular FormulaC34H26N6Na2O8S2
Molecular Weight756.73 g/mol
Exact Mass756.10
IUPAC Namedisodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
SMILESCc1cc(-c2ccc(/N=N/c3c(N)ccc4cc(S(=O)(=O)[O-])cc(O)c34)c(C)c2)ccc1/N=N/c1c(N)ccc2cc(SOO[O-])cc(O)c12.[Na+].[Na+]
InChIInChI=1S/C34H28N6O8S2.2Na/c1-17-11-19(5-9-27(17)37-39-33-25(35)7-3-21-13-23(49-48-47-43)15-29(41)31(21)33)20-6-10-28(18(2)12-20)38-40-34-26(36)8-4-22-14-24(50(44,45)46)16-30(42)32(22)34;;/h3-16,41-43H,35-36H2,1-2H3,(H,44,45,46);;/q;2*+1/p-2/b39-37+,40-38+;;
InChIKeyWKPBVRYHFSXNGB-DVDDBBOFSA-L
XLogP1.83
TPSA240.66 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.73
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate 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

6-amino-5-[[4-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137194224
disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
CID 23553841
sodium 6-amino-5-[(4-amino-2-chlorophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate
CID 135764832
6-amino-5-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 10478742
disodium;6-amino-4-hydroxy-5-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2-sulfonate
CID 165363023
3-amino-4-[[4-[4-[(2-amino-6-sulfonaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 10328109
5-methyl-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
CID 169293338
CID 170846621
CID 170846621
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135801975
sodium 3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
CID 135421888
tetrasodium;3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate
CID 20174
sodium 5-[[2-[(4-acetamidophenyl)-phenylsulfamoyl]phenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonate
CID 135765401

Frequently Asked Questions

What is the IUPAC name of disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate?
The IUPAC name of disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate (CID 135995385) is disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.
What is the SMILES notation for disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate?
The canonical SMILES for disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate is Cc1cc(-c2ccc(/N=N/c3c(N)ccc4cc(S(=O)(=O)[O-])cc(O)c34)c(C)c2)ccc1/N=N/c1c(N)ccc2cc(SOO[O-])cc(O)c12.[Na+].[Na+].
What is the InChIKey of disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate?
The InChIKey is WKPBVRYHFSXNGB-DVDDBBOFSA-L. The full InChI is InChI=1S/C34H28N6O8S2.2Na/c1-17-11-19(5-9-27(17)37-39-33-25(35)7-3-21-13-23(49-48-47-43)15-29(41)31(21)33)20-6-10-28(18(2)12-20)38-40-34-26(36)8-4-22-14-24(50(44,45)46)16-30(42)32(22)34;;/h3-16,41-43H,35-36H2,1-2H3,(H,44,45,46);;/q;2*+1/p-2/b39-37+,40-38+;;.
What are the key properties of disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate?
disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate has a molecular weight of 756.73 g/mol, XLogP of 1.83, 9 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate is sourced from PubChem (CID 135995385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).