5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium

C33H20N4O9S2+2 — CID 14670443

IUPAC5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
SMILESN#[N+]c1ccc2c(S(=O)(=O)Oc3ccc(C(=O)c4ccc(OS(=O)(=O)c5cccc6c(O)c([N+]#N)ccc56)cc4)cc3)cccc2c1O
InChIInChI=1S/C33H18N4O9S2/c34-36-27-17-15-23-25(32(27)39)3-1-5-29(23)47(41,42)45-21-11-7-19(8-12-21)31(38)20-9-13-22(14-10-20)46-48(43,44)30-6-2-4-26-24(30)16-18-28(37-35)33(26)40/h1-18H/p+2
InChIKeySHGYANPCACJSBK-UHFFFAOYSA-P
MW680.68 g/mol
LogP7.14
Rot. Bonds8

About 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium

5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium (PubChem CID 14670443) has the molecular formula C33H20N4O9S2+2 and a molecular weight of 680.68 g/mol. Its IUPAC name is 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium.

Molecular Properties

Compound Name5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
PubChem CID14670443
Molecular FormulaC33H20N4O9S2+2
Molecular Weight680.68 g/mol
Exact Mass680.07
IUPAC Name5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
SMILESN#[N+]c1ccc2c(S(=O)(=O)Oc3ccc(C(=O)c4ccc(OS(=O)(=O)c5cccc6c(O)c([N+]#N)ccc56)cc4)cc3)cccc2c1O
InChIInChI=1S/C33H18N4O9S2/c34-36-27-17-15-23-25(32(27)39)3-1-5-29(23)47(41,42)45-21-11-7-19(8-12-21)31(38)20-9-13-22(14-10-20)46-48(43,44)30-6-2-4-26-24(30)16-18-28(37-35)33(26)40/h1-18H/p+2
InChIKeySHGYANPCACJSBK-UHFFFAOYSA-P
XLogP7.14
TPSA200.57 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500680.68
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-5-[4-[2,3,4-tris[(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxy]benzoyl]phenoxy]sulfonylnaphthalene-2-diazonium
CID 25079880
5-[4-(2,2-dimethylpropanoyloxy)phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 22892381
5-[4-[2-[4-[1,1-bis[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]ethyl]phenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 101094433
5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 101197148
5-[4-benzoyl-2,3-bis[(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyl]phenyl]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 101122105
2-diazonio-5-[4-[3-[4-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxyphenyl]pentan-3-yl]phenoxy]sulfonylnaphthalen-1-olate
CID 59266994
2-diazonio-5-[4-[2-[5-[2-[4-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2-hydroxy-4-methoxyphenyl]propan-2-yl]phenoxy]sulfonylnaphthalen-1-olate
CID 101151065
5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium
CID 59288687
5-[1-(2-cyclohexylpropan-2-yl)cyclohexyl]oxysulfonyl-1-hydroxynaphthalene-2-diazonium
CID 19991338
5-[4-[3-[4-[(6-diazonio-4-hydroxy-1,5-dihydronaphthalen-1-yl)sulfonyloxy]phenyl]pentan-3-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 87486185
5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium
CID 6454442
2-diazonio-5-sulfamoylnaphthalen-1-olate
CID 19805275

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium?
The IUPAC name of 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium (CID 14670443) is 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium.
What is the SMILES notation for 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium?
The canonical SMILES for 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium is N#[N+]c1ccc2c(S(=O)(=O)Oc3ccc(C(=O)c4ccc(OS(=O)(=O)c5cccc6c(O)c([N+]#N)ccc56)cc4)cc3)cccc2c1O.
What is the InChIKey of 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium?
The InChIKey is SHGYANPCACJSBK-UHFFFAOYSA-P. The full InChI is InChI=1S/C33H18N4O9S2/c34-36-27-17-15-23-25(32(27)39)3-1-5-29(23)47(41,42)45-21-11-7-19(8-12-21)31(38)20-9-13-22(14-10-20)46-48(43,44)30-6-2-4-26-24(30)16-18-28(37-35)33(26)40/h1-18H/p+2.
What are the key properties of 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium?
5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium has a molecular weight of 680.68 g/mol, XLogP of 7.14, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium is sourced from PubChem (CID 14670443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).