bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride

C84H96Cl2Si2Zr2-2 — CID 18008289

About bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride

bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride (PubChem CID 18008289) has the molecular formula C84H96Cl2Si2Zr2-2 and a molecular weight of 1415.22 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride.

Molecular Properties

• Compound Name: bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride
• PubChem CID: 18008289
• Molecular Formula: C84H96Cl2Si2Zr2-2
• Molecular Weight: 1415.22 g/mol
• Exact Mass: 1410.45
• IUPAC Name: bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride
• SMILES: CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/4C20H21.2C2H6Si.2ClH.2Zr/c4*1-5-16-11-17-7-6-8-18(19(17)12-16)20-14(3)9-13(2)10-15(20)4;2*1-3-2;;;;/h4*6-12H,5H2,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
• InChIKey: YDDHNZBHJIOUSJ-UHFFFAOYSA-L
• XLogP: 18.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1415.22
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride?

The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride (CID 18008289) is bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride.

What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride?

The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride is CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride?

The InChIKey is YDDHNZBHJIOUSJ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C20H21.2C2H6Si.2ClH.2Zr/c4*1-5-16-11-17-7-6-8-18(19(17)12-16)20-14(3)9-13(2)10-15(20)4;2*1-3-2;;;;/h4*6-12H,5H2,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.

What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride?

bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride has a molecular weight of 1415.22 g/mol, XLogP of 18.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 18008289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).