4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid

C26H19N5O7S2 — CID 136688709

IUPAC4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
SMILESNc1c(/N=N/c2ccccc2)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(/N=N/c3cccc4ccccc34)c(O)c12
InChIInChI=1S/C26H19N5O7S2/c27-24-20(30-28-16-9-2-1-3-10-16)14-21(39(33,34)35)18-13-22(40(36,37)38)25(26(32)23(18)24)31-29-19-12-6-8-15-7-4-5-11-17(15)19/h1-14,32H,27H2,(H,33,34,35)(H,36,37,38)/b30-28+,31-29+
InChIKeyKASPLMJUPWGDRY-FUEWEDNTSA-N
MW577.60 g/mol
LogP6.61
Rot. Bonds6

About 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid

4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid (PubChem CID 136688709) has the molecular formula C26H19N5O7S2 and a molecular weight of 577.60 g/mol. Its IUPAC name is 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid.

Molecular Properties

Compound Name4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
PubChem CID136688709
Molecular FormulaC26H19N5O7S2
Molecular Weight577.60 g/mol
Exact Mass577.07
IUPAC Name4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
SMILESNc1c(/N=N/c2ccccc2)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(/N=N/c3cccc4ccccc34)c(O)c12
InChIInChI=1S/C26H19N5O7S2/c27-24-20(30-28-16-9-2-1-3-10-16)14-21(39(33,34)35)18-13-22(40(36,37)38)25(26(32)23(18)24)31-29-19-12-6-8-15-7-4-5-11-17(15)19/h1-14,32H,27H2,(H,33,34,35)(H,36,37,38)/b30-28+,31-29+
InChIKeyKASPLMJUPWGDRY-FUEWEDNTSA-N
XLogP6.61
TPSA204.43 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.60
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-hydroxy-6-(methyldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 135854946
2-[(1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfonaphthalen-2-yl)diazenyl]-5-hydroxy-6-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,7-disulfonic acid
CID 137130409
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
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
disodium;4-amino-3-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 139595340
2-[[7-[[1-amino-8-hydroxy-4-sulfo-6-(trihydroxy-λ4-sulfanyl)naphthalen-2-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
CID 135997780
4-amino-5-hydroxy-3,6-bis[[5-hydroxy-6-[(4-methylsulfonylphenyl)diazenyl]-1,7-disulfonaphthalen-2-yl]diazenyl]naphthalene-1,7-disulfonic acid
CID 136621098
2-[[8-amino-7-[[7-[(2-carboxyphenyl)diazenyl]-8-hydroxy-6-sulfonaphthalen-2-yl]diazenyl]-1-hydroxy-5-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzoic acid
CID 135855035
5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 136634817
5-[[6-[[1-amino-7-[[6-[(3,5-dicarboxyphenyl)diazenyl]-5-hydroxy-1,7-disulfonaphthalen-2-yl]diazenyl]-8-hydroxy-4,6-disulfonaphthalen-2-yl]diazenyl]-1-hydroxy-3,5-disulfonaphthalen-2-yl]diazenyl]benzene-1,3-dicarboxylic acid
CID 136621109
4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
5-amino-4-hydroxy-3-[(3-methylphenyl)diazenyl]-6-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137095404

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid?
The IUPAC name of 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid (CID 136688709) is 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid.
What is the SMILES notation for 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid?
The canonical SMILES for 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid is Nc1c(/N=N/c2ccccc2)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(/N=N/c3cccc4ccccc34)c(O)c12.
What is the InChIKey of 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid?
The InChIKey is KASPLMJUPWGDRY-FUEWEDNTSA-N. The full InChI is InChI=1S/C26H19N5O7S2/c27-24-20(30-28-16-9-2-1-3-10-16)14-21(39(33,34)35)18-13-22(40(36,37)38)25(26(32)23(18)24)31-29-19-12-6-8-15-7-4-5-11-17(15)19/h1-14,32H,27H2,(H,33,34,35)(H,36,37,38)/b30-28+,31-29+.
What are the key properties of 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid?
4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid has a molecular weight of 577.60 g/mol, XLogP of 6.61, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid is sourced from PubChem (CID 136688709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).