dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride

C28H28Cl2N4SiZr-2 — CID 87863182

IUPACdimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(-n3cccn3)cccc2[cH-]1.Cc1cc2c(-n3cccn3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C13H11N2.C2H6Si.2ClH.Zr/c2*1-10-8-11-4-2-5-13(12(11)9-10)15-7-3-6-14-15;1-3-2;;;/h2*2-9H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOSOSGBGGKDAZFF-UHFFFAOYSA-L
MW610.78 g/mol
LogP0.90
Rot. Bonds2

About dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride

dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride (PubChem CID 87863182) has the molecular formula C28H28Cl2N4SiZr-2 and a molecular weight of 610.78 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride
PubChem CID87863182
Molecular FormulaC28H28Cl2N4SiZr-2
Molecular Weight610.78 g/mol
Exact Mass608.05
IUPAC Namedimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(-n3cccn3)cccc2[cH-]1.Cc1cc2c(-n3cccn3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C13H11N2.C2H6Si.2ClH.Zr/c2*1-10-8-11-4-2-5-13(12(11)9-10)15-7-3-6-14-15;1-3-2;;;/h2*2-9H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOSOSGBGGKDAZFF-UHFFFAOYSA-L
XLogP0.90
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.78
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride (CID 87863182) is dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride is C[Si](C)=[Zr+2].Cc1cc2c(-n3cccn3)cccc2[cH-]1.Cc1cc2c(-n3cccn3)cccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride?
The InChIKey is OSOSGBGGKDAZFF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H11N2.C2H6Si.2ClH.Zr/c2*1-10-8-11-4-2-5-13(12(11)9-10)15-7-3-6-14-15;1-3-2;;;/h2*2-9H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride?
dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride has a molecular weight of 610.78 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(1-(2-methyl-1H-inden-1-id-4-yl)pyrazole);dichloride is sourced from PubChem (CID 87863182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).