disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate

C16H10N2Na2O6S2 — CID 162224475

IUPACdisodium;3-phenyldiazenylnaphthalene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2cc(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]
InChIInChI=1S/C16H12N2O6S2.2Na/c19-25(20,21)14-7-6-11-9-15(18-17-13-4-2-1-3-5-13)16(26(22,23)24)10-12(11)8-14;;/h1-10H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b18-17+;;
InChIKeyZUOIPCGYJCLHEB-QIKYXUGXSA-L
MW436.38 g/mol
LogP-2.93
Rot. Bonds4

About disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate

disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate (PubChem CID 162224475) has the molecular formula C16H10N2Na2O6S2 and a molecular weight of 436.38 g/mol. Its IUPAC name is disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate.

Molecular Properties

Compound Namedisodium;3-phenyldiazenylnaphthalene-2,7-disulfonate
PubChem CID162224475
Molecular FormulaC16H10N2Na2O6S2
Molecular Weight436.38 g/mol
Exact Mass435.98
IUPAC Namedisodium;3-phenyldiazenylnaphthalene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2cc(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]
InChIInChI=1S/C16H12N2O6S2.2Na/c19-25(20,21)14-7-6-11-9-15(18-17-13-4-2-1-3-5-13)16(26(22,23)24)10-12(11)8-14;;/h1-10H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b18-17+;;
InChIKeyZUOIPCGYJCLHEB-QIKYXUGXSA-L
XLogP-2.93
TPSA139.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

hexasodium;3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-7-[[7-sulfonato-6-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonate
CID 59456619
disodium;3-[(2-methyl-5-nitrophenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonate
CID 102067134
3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
CID 3947723
3-[(3-hydroxy-2-phenyldiazenylphenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 137218994
sodium 5-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2-sulfonate
CID 135482636
sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
CID 169408459
trisodium;6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
CID 135565092
disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)
CID 158386780
disodium;2-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonate
CID 141173197
disodium;6-oxido-7-sulfonaphthalene-2-sulfonate
CID 101310177
disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 20170
sodium 4-phenyldiazenyl-7-sulfonaphthalen-2-olate
CID 102407197

Frequently Asked Questions

What is the IUPAC name of disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate?
The IUPAC name of disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate (CID 162224475) is disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate.
What is the SMILES notation for disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate?
The canonical SMILES for disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate is O=S(=O)([O-])c1ccc2cc(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].
What is the InChIKey of disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate?
The InChIKey is ZUOIPCGYJCLHEB-QIKYXUGXSA-L. The full InChI is InChI=1S/C16H12N2O6S2.2Na/c19-25(20,21)14-7-6-11-9-15(18-17-13-4-2-1-3-5-13)16(26(22,23)24)10-12(11)8-14;;/h1-10H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b18-17+;;.
What are the key properties of disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate?
disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate has a molecular weight of 436.38 g/mol, XLogP of -2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate is sourced from PubChem (CID 162224475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).