zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride

C30H28Cl4N10O6Zn — CID 170842341

IUPACzinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride
SMILESCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1[N+]#N.COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/2C15H14N5O3.4ClH.Zn/c2*1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2;;;;;/h2*4-8H,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/b2*19-18+;;;;;
InChIKeyVUFIPLOIANLIBR-BKZLANPUSA-J
MW831.82 g/mol
LogP-1.75
Rot. Bonds8

About zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride

zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride (PubChem CID 170842341) has the molecular formula C30H28Cl4N10O6Zn and a molecular weight of 831.82 g/mol. Its IUPAC name is zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride.

Molecular Properties

Compound Namezinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride
PubChem CID170842341
Molecular FormulaC30H28Cl4N10O6Zn
Molecular Weight831.82 g/mol
Exact Mass828.02
IUPAC Namezinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride
SMILESCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1[N+]#N.COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/2C15H14N5O3.4ClH.Zn/c2*1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2;;;;;/h2*4-8H,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/b2*19-18+;;;;;
InChIKeyVUFIPLOIANLIBR-BKZLANPUSA-J
XLogP-1.75
TPSA210.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.82
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride?
The IUPAC name of zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride (CID 170842341) is zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride.
What is the SMILES notation for zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride?
The canonical SMILES for zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride is COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1[N+]#N.COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride?
The InChIKey is VUFIPLOIANLIBR-BKZLANPUSA-J. The full InChI is InChI=1S/2C15H14N5O3.4ClH.Zn/c2*1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2;;;;;/h2*4-8H,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/b2*19-18+;;;;;.
What are the key properties of zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride?
zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride has a molecular weight of 831.82 g/mol, XLogP of -1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride is sourced from PubChem (CID 170842341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).