dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)

C36H30Cl2F6HfSi-2 — CID 173305049

IUPACdichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)
SMILESC[Si](C)=[Hf](Cl)Cl.Cc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1
InChIInChI=1S/2C17H12F3.C2H6Si.2ClH.Hf/c2*1-11-9-13-3-2-4-15(16(13)10-11)12-5-7-14(8-6-12)17(18,19)20;1-3-2;;;/h2*2-10H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGMPYYQGXBSSVBF-UHFFFAOYSA-L
MW854.11 g/mol
LogP13.27
Rot. Bonds2

About dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)

dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) (PubChem CID 173305049) has the molecular formula C36H30Cl2F6HfSi-2 and a molecular weight of 854.11 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)
PubChem CID173305049
Molecular FormulaC36H30Cl2F6HfSi-2
Molecular Weight854.11 g/mol
Exact Mass854.09
IUPAC Namedichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)
SMILESC[Si](C)=[Hf](Cl)Cl.Cc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1
InChIInChI=1S/2C17H12F3.C2H6Si.2ClH.Hf/c2*1-11-9-13-3-2-4-15(16(13)10-11)12-5-7-14(8-6-12)17(18,19)20;1-3-2;;;/h2*2-10H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGMPYYQGXBSSVBF-UHFFFAOYSA-L
XLogP13.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.11
LogP ≤ 513.27
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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Related Compounds

4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 87879324
dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
CID 173228625
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 22335819
bis(4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide);dichloro(propan-2-ylidene)zirconium
CID 173212904
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
CID 150174113
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
CID 87993698
CID 87993698
lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide
CID 22023088
4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
CID 154511524

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) (CID 173305049) is dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) is C[Si](C)=[Hf](Cl)Cl.Cc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.
What is the InChIKey of dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The InChIKey is GMPYYQGXBSSVBF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H12F3.C2H6Si.2ClH.Hf/c2*1-11-9-13-3-2-4-15(16(13)10-11)12-5-7-14(8-6-12)17(18,19)20;1-3-2;;;/h2*2-10H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)?
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) has a molecular weight of 854.11 g/mol, XLogP of 13.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) is sourced from PubChem (CID 173305049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).