bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride

C84H104Cl2Si6Zr2-2 — CID 18008255

About bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride

bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride (PubChem CID 18008255) has the molecular formula C84H104Cl2Si6Zr2-2 and a molecular weight of 1535.63 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride.

Molecular Properties

• Compound Name: bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
• PubChem CID: 18008255
• Molecular Formula: C84H104Cl2Si6Zr2-2
• Molecular Weight: 1535.63 g/mol
• Exact Mass: 1530.42
• IUPAC Name: bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
• SMILES: CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/4C20H23Si.2C2H6Si.2ClH.2Zr/c4*1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;2*1-3-2;;;;/h4*6-14H,5H2,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
• InChIKey: BYOLQQVLKMXBFB-UHFFFAOYSA-L
• XLogP: 16.91
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1535.63
LogP ≤ 5	16.91
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([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride?

The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride (CID 18008255) is bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride.

What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride?

The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride is CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride?

The InChIKey is BYOLQQVLKMXBFB-UHFFFAOYSA-L. The full InChI is InChI=1S/4C20H23Si.2C2H6Si.2ClH.2Zr/c4*1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;2*1-3-2;;;;/h4*6-14H,5H2,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.

What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride?

bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride has a molecular weight of 1535.63 g/mol, XLogP of 16.91, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride is sourced from PubChem (CID 18008255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).