dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)

C38H38F6O2SiZr — CID 87775589

IUPACdimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].Oc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/2C11H11.2C7H5F3O.C2H6Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;2*8-7(9,10)5-1-3-6(11)4-2-5;1-3-2;/h2*3-8H,2H2,1H3;2*1-4,11H;1-2H3;/q2*-1;;;;+2
InChIKeyMNFFTQAOFJUKCQ-UHFFFAOYSA-N
MW760.02 g/mol
LogP11.85
Rot. Bonds2

About dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)

dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) (PubChem CID 87775589) has the molecular formula C38H38F6O2SiZr and a molecular weight of 760.02 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol).

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)
PubChem CID87775589
Molecular FormulaC38H38F6O2SiZr
Molecular Weight760.02 g/mol
Exact Mass758.16
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].Oc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/2C11H11.2C7H5F3O.C2H6Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;2*8-7(9,10)5-1-3-6(11)4-2-5;1-3-2;/h2*3-8H,2H2,1H3;2*1-4,11H;1-2H3;/q2*-1;;;;+2
InChIKeyMNFFTQAOFJUKCQ-UHFFFAOYSA-N
XLogP11.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.02
LogP ≤ 511.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) (CID 87775589) is dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol).
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].Oc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)?
The InChIKey is MNFFTQAOFJUKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11.2C7H5F3O.C2H6Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;2*8-7(9,10)5-1-3-6(11)4-2-5;1-3-2;/h2*3-8H,2H2,1H3;2*1-4,11H;1-2H3;/q2*-1;;;;+2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)?
dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) has a molecular weight of 760.02 g/mol, XLogP of 11.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) is sourced from PubChem (CID 87775589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).