dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)

C34H38F6O2SiZr — CID 87776231

IUPACdimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)
SMILESC[Si](C)=[Zr+2].Oc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1.c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.2C7H5F3O.C2H6Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*8-7(9,10)5-1-3-6(11)4-2-5;1-3-2;/h2*3,6-7H,1-2,4-5H2;2*1-4,11H;1-2H3;/q2*-1;;;;+2
InChIKeyVLJOOOYMGMISCI-UHFFFAOYSA-N
MW711.97 g/mol
LogP10.17
Rot. Bonds

About dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)

dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) (PubChem CID 87776231) has the molecular formula C34H38F6O2SiZr and a molecular weight of 711.97 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol).

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)
PubChem CID87776231
Molecular FormulaC34H38F6O2SiZr
Molecular Weight711.97 g/mol
Exact Mass710.16
IUPAC Namedimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)
SMILESC[Si](C)=[Zr+2].Oc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1.c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.2C7H5F3O.C2H6Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*8-7(9,10)5-1-3-6(11)4-2-5;1-3-2;/h2*3,6-7H,1-2,4-5H2;2*1-4,11H;1-2H3;/q2*-1;;;;+2
InChIKeyVLJOOOYMGMISCI-UHFFFAOYSA-N
XLogP10.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.97
LogP ≤ 510.17
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(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) (CID 87776231) is dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol).
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) is C[Si](C)=[Zr+2].Oc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1.c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2.
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)?
The InChIKey is VLJOOOYMGMISCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.2C7H5F3O.C2H6Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*8-7(9,10)5-1-3-6(11)4-2-5;1-3-2;/h2*3,6-7H,1-2,4-5H2;2*1-4,11H;1-2H3;/q2*-1;;;;+2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol)?
dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) has a molecular weight of 711.97 g/mol, XLogP of 10.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);bis(4-(trifluoromethyl)phenol) is sourced from PubChem (CID 87776231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).