bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride

C72H108Cl2N2Si4Zr — CID 159721733

IUPACbis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride
SMILES[Cl-].[Cl-].[Zr+4].c1ccc([Si]([N-][Si](c2ccccc2)(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1.c1ccc([Si]([N-][Si](c2ccccc2)(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/2C36H54NSi2.2ClH.Zr/c2*1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;;/h2*1,4,7-8,13-14,19-20,25-26,32-33,35-36H,2-3,5-6,9-12,15-18,21-24,27-30H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyLCGFSRPGEYTAPR-UHFFFAOYSA-L
MW1276.14 g/mol
LogP14.81
Rot. Bonds16

About bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride

bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride (PubChem CID 159721733) has the molecular formula C72H108Cl2N2Si4Zr and a molecular weight of 1276.14 g/mol. Its IUPAC name is bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride
PubChem CID159721733
Molecular FormulaC72H108Cl2N2Si4Zr
Molecular Weight1276.14 g/mol
Exact Mass1272.60
IUPAC Namebis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride
SMILES[Cl-].[Cl-].[Zr+4].c1ccc([Si]([N-][Si](c2ccccc2)(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1.c1ccc([Si]([N-][Si](c2ccccc2)(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/2C36H54NSi2.2ClH.Zr/c2*1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;;/h2*1,4,7-8,13-14,19-20,25-26,32-33,35-36H,2-3,5-6,9-12,15-18,21-24,27-30H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyLCGFSRPGEYTAPR-UHFFFAOYSA-L
XLogP14.81
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.14
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride?
The IUPAC name of bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride (CID 159721733) is bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride.
What is the SMILES notation for bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride?
The canonical SMILES for bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride is [Cl-].[Cl-].[Zr+4].c1ccc([Si]([N-][Si](c2ccccc2)(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1.c1ccc([Si]([N-][Si](c2ccccc2)(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride?
The InChIKey is LCGFSRPGEYTAPR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C36H54NSi2.2ClH.Zr/c2*1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;;/h2*1,4,7-8,13-14,19-20,25-26,32-33,35-36H,2-3,5-6,9-12,15-18,21-24,27-30H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride?
bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride has a molecular weight of 1276.14 g/mol, XLogP of 14.81, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride is sourced from PubChem (CID 159721733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).