7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate

C22H14N4O5S2-2 — CID 136682914

IUPAC7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate
SMILESO=S([O-])c1cc(S(=O)[O-])c2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(O)ccc2c1
InChIInChI=1S/C22H16N4O5S2/c27-19-11-6-14-12-18(32(28)29)13-20(33(30)31)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15/h1-13,27H,(H,28,29)(H,30,31)/p-2/b24-23+,26-25+
InChIKeyWJYJYTUITUHMHX-QSZPNPOGSA-L
MW478.51 g/mol
LogP5.85
Rot. Bonds6

About 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate

7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate (PubChem CID 136682914) has the molecular formula C22H14N4O5S2-2 and a molecular weight of 478.51 g/mol. Its IUPAC name is 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate.

Molecular Properties

Compound Name7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate
PubChem CID136682914
Molecular FormulaC22H14N4O5S2-2
Molecular Weight478.51 g/mol
Exact Mass478.04
IUPAC Name7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate
SMILESO=S([O-])c1cc(S(=O)[O-])c2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(O)ccc2c1
InChIInChI=1S/C22H16N4O5S2/c27-19-11-6-14-12-18(32(28)29)13-20(33(30)31)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15/h1-13,27H,(H,28,29)(H,30,31)/p-2/b24-23+,26-25+
InChIKeyWJYJYTUITUHMHX-QSZPNPOGSA-L
XLogP5.85
TPSA149.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate 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

5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum
CID 136606587
sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
CID 169408459
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfinate
CID 140585723
CID 170850429
CID 170850429
1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol
CID 136671063
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
ethane;hydrogen sulfite;8-methyl-2-phenyldiazenyl-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
CID 136647028
CID 170843851
CID 170843851
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen
CID 161131700
CID 137235002
CID 137235002
6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 177488821

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate?
The IUPAC name of 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate (CID 136682914) is 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate.
What is the SMILES notation for 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate?
The canonical SMILES for 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate is O=S([O-])c1cc(S(=O)[O-])c2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(O)ccc2c1.
What is the InChIKey of 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate?
The InChIKey is WJYJYTUITUHMHX-QSZPNPOGSA-L. The full InChI is InChI=1S/C22H16N4O5S2/c27-19-11-6-14-12-18(32(28)29)13-20(33(30)31)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15/h1-13,27H,(H,28,29)(H,30,31)/p-2/b24-23+,26-25+.
What are the key properties of 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate?
7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate has a molecular weight of 478.51 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate is sourced from PubChem (CID 136682914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).