diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)

C35H27F6O2SiZr- — CID 18521328

IUPACdiphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)
SMILESOc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1.[Zr]=[Si](c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H10Si.C9H7.2C7H5F3O.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;2*8-7(9,10)5-1-3-6(11)4-2-5;/h1-10H;1-7H;2*1-4,11H;/q;-1;;;
InChIKeyKKQAGWCYJWYEPL-UHFFFAOYSA-N
MW712.90 g/mol
LogP8.72
Rot. Bonds2

About diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)

diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol) (PubChem CID 18521328) has the molecular formula C35H27F6O2SiZr- and a molecular weight of 712.90 g/mol. Its IUPAC name is diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol).

Molecular Properties

Compound Namediphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)
PubChem CID18521328
Molecular FormulaC35H27F6O2SiZr-
Molecular Weight712.90 g/mol
Exact Mass711.07
IUPAC Namediphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)
SMILESOc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1.[Zr]=[Si](c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H10Si.C9H7.2C7H5F3O.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;2*8-7(9,10)5-1-3-6(11)4-2-5;/h1-10H;1-7H;2*1-4,11H;/q;-1;;;
InChIKeyKKQAGWCYJWYEPL-UHFFFAOYSA-N
XLogP8.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 58.72
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 diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)?
The IUPAC name of diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol) (CID 18521328) is diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol).
What is the SMILES notation for diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)?
The canonical SMILES for diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol) is Oc1ccc(C(F)(F)F)cc1.Oc1ccc(C(F)(F)F)cc1.[Zr]=[Si](c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)?
The InChIKey is KKQAGWCYJWYEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Si.C9H7.2C7H5F3O.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;2*8-7(9,10)5-1-3-6(11)4-2-5;/h1-10H;1-7H;2*1-4,11H;/q;-1;;;.
What are the key properties of diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)?
diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol) has a molecular weight of 712.90 g/mol, XLogP of 8.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylsilylidenezirconium;1H-inden-1-ide;bis(4-(trifluoromethyl)phenol) is sourced from PubChem (CID 18521328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).