zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride

C26H24Cl4N6O2Zn — CID 6453830

IUPACzinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride
SMILESCOc1ccc(Nc2ccc([N+]#N)cc2)cc1.COc1ccc(Nc2ccc([N+]#N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/2C13H12N3O.4ClH.Zn/c2*1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;;;;;/h2*2-9,15H,1H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKeyJUCAYNIPPQKYEA-UHFFFAOYSA-J
MW659.72 g/mol
LogP-4.14
Rot. Bonds6

About zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride

zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride (PubChem CID 6453830) has the molecular formula C26H24Cl4N6O2Zn and a molecular weight of 659.72 g/mol. Its IUPAC name is zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride.

Molecular Properties

Compound Namezinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride
PubChem CID6453830
Molecular FormulaC26H24Cl4N6O2Zn
Molecular Weight659.72 g/mol
Exact Mass656.00
IUPAC Namezinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride
SMILESCOc1ccc(Nc2ccc([N+]#N)cc2)cc1.COc1ccc(Nc2ccc([N+]#N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/2C13H12N3O.4ClH.Zn/c2*1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;;;;;/h2*2-9,15H,1H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKeyJUCAYNIPPQKYEA-UHFFFAOYSA-J
XLogP-4.14
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.72
LogP ≤ 5-4.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride?
The IUPAC name of zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride (CID 6453830) is zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride.
What is the SMILES notation for zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride?
The canonical SMILES for zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride is COc1ccc(Nc2ccc([N+]#N)cc2)cc1.COc1ccc(Nc2ccc([N+]#N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride?
The InChIKey is JUCAYNIPPQKYEA-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H12N3O.4ClH.Zn/c2*1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;;;;;/h2*2-9,15H,1H3;4*1H;/q2*+1;;;;;+2/p-4.
What are the key properties of zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride?
zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride has a molecular weight of 659.72 g/mol, XLogP of -4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride is sourced from PubChem (CID 6453830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).