bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride

C52H64Cl2Si2Zr2-2 — CID 21261068

IUPACbis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride
SMILESCC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C12H13.2C2H6Si.2ClH.2Zr/c4*1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-3-2;;;;/h4*3-9H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyMUOCZHAGDMQEED-UHFFFAOYSA-L
MW998.61 g/mol
LogP10.31
Rot. Bonds4

About bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride

bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride (PubChem CID 21261068) has the molecular formula C52H64Cl2Si2Zr2-2 and a molecular weight of 998.61 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namebis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride
PubChem CID21261068
Molecular FormulaC52H64Cl2Si2Zr2-2
Molecular Weight998.61 g/mol
Exact Mass994.20
IUPAC Namebis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride
SMILESCC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C12H13.2C2H6Si.2ClH.2Zr/c4*1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-3-2;;;;/h4*3-9H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyMUOCZHAGDMQEED-UHFFFAOYSA-L
XLogP10.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.61
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride?
The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride (CID 21261068) is bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride is CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride?
The InChIKey is MUOCZHAGDMQEED-UHFFFAOYSA-L. The full InChI is InChI=1S/4C12H13.2C2H6Si.2ClH.2Zr/c4*1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-3-2;;;;/h4*3-9H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride?
bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride has a molecular weight of 998.61 g/mol, XLogP of 10.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 21261068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).