dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride

C38H40Cl2SiZr-2 — CID 173142082

IUPACdimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
SMILESCCc1cc2c(-c3ccccc3C)cccc2[cH-]1.CCc1cc2c(-c3ccccc3C)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C18H17.C2H6Si.2ClH.Zr/c2*1-3-14-11-15-8-6-10-17(18(15)12-14)16-9-5-4-7-13(16)2;1-3-2;;;/h2*4-12H,3H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyDWZQMTKLVBYALE-UHFFFAOYSA-L
MW686.95 g/mol
LogP4.99
Rot. Bonds4

About dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride (PubChem CID 173142082) has the molecular formula C38H40Cl2SiZr-2 and a molecular weight of 686.95 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
PubChem CID173142082
Molecular FormulaC38H40Cl2SiZr-2
Molecular Weight686.95 g/mol
Exact Mass684.13
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
SMILESCCc1cc2c(-c3ccccc3C)cccc2[cH-]1.CCc1cc2c(-c3ccccc3C)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C18H17.C2H6Si.2ClH.Zr/c2*1-3-14-11-15-8-6-10-17(18(15)12-14)16-9-5-4-7-13(16)2;1-3-2;;;/h2*4-12H,3H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyDWZQMTKLVBYALE-UHFFFAOYSA-L
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500686.95
LogP ≤ 54.99
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'}

Analyze dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008297
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride
CID 18008289
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008261
dimethylsilylidenezirconium(2+);bis(8-(2-ethyl-1H-inden-1-id-4-yl)quinoline);dichloride
CID 161305211
bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506
2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 174411637
bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
CID 18008255
dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride
CID 87865793
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride (CID 173142082) is dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride is CCc1cc2c(-c3ccccc3C)cccc2[cH-]1.CCc1cc2c(-c3ccccc3C)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride?
The InChIKey is DWZQMTKLVBYALE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H17.C2H6Si.2ClH.Zr/c2*1-3-14-11-15-8-6-10-17(18(15)12-14)16-9-5-4-7-13(16)2;1-3-2;;;/h2*4-12H,3H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride has a molecular weight of 686.95 g/mol, XLogP of 4.99, 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-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 173142082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).