dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride

C46H40Cl2SiZr-2 — CID 173142029

IUPACdimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C22H17.C2H6Si.2ClH.Zr/c2*1-16-14-20-8-5-9-21(22(20)15-16)19-12-10-18(11-13-19)17-6-3-2-4-7-17;1-3-2;;;/h2*2-15H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHIQJVHZMMWLIBJ-UHFFFAOYSA-L
MW783.04 g/mol
LogP7.19
Rot. Bonds4

About dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride (PubChem CID 173142029) has the molecular formula C46H40Cl2SiZr-2 and a molecular weight of 783.04 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
PubChem CID173142029
Molecular FormulaC46H40Cl2SiZr-2
Molecular Weight783.04 g/mol
Exact Mass780.13
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C22H17.C2H6Si.2ClH.Zr/c2*1-16-14-20-8-5-9-21(22(20)15-16)19-12-10-18(11-13-19)17-6-3-2-4-7-17;1-3-2;;;/h2*2-15H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHIQJVHZMMWLIBJ-UHFFFAOYSA-L
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.04
LogP ≤ 57.19
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

bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
bis(4-(4-benzylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173111924
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 22335819
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
CID 87993698
CID 87993698
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173168918
CID 173168918
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
CID 172741772
CID 173284099
CID 173284099

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride (CID 173142029) is dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride is C[Si](C)=[Zr+2].Cc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride?
The InChIKey is HIQJVHZMMWLIBJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H17.C2H6Si.2ClH.Zr/c2*1-16-14-20-8-5-9-21(22(20)15-16)19-12-10-18(11-13-19)17-6-3-2-4-7-17;1-3-2;;;/h2*2-15H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride has a molecular weight of 783.04 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 173142029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).