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

C72H68Br4Cl2Si2Zr2-2 — CID 18008297

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

tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride (PubChem CID 18008297) has the molecular formula C72H68Br4Cl2Si2Zr2-2 and a molecular weight of 1562.48 g/mol. Its IUPAC name is tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride.

Molecular Properties

• Compound Name: tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
• PubChem CID: 18008297
• Molecular Formula: C72H68Br4Cl2Si2Zr2-2
• Molecular Weight: 1562.48 g/mol
• Exact Mass: 1553.91
• IUPAC Name: tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
• SMILES: CCc1cc2c(-c3ccccc3Br)cccc2[cH-]1.CCc1cc2c(-c3ccccc3Br)cccc2[cH-]1.CCc1cc2c(-c3ccccc3Br)cccc2[cH-]1.CCc1cc2c(-c3ccccc3Br)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/4C17H14Br.2C2H6Si.2ClH.2Zr/c4*1-2-12-10-13-6-5-8-14(16(13)11-12)15-7-3-4-9-17(15)18;2*1-3-2;;;;/h4*3-11H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
• InChIKey: IXUZGDDHJVTJHW-UHFFFAOYSA-L
• XLogP: 17.78
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1562.48
LogP ≤ 5	17.78
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 tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?

The IUPAC name of tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride (CID 18008297) is tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride.

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

The canonical SMILES for tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride is CCc1cc2c(-c3ccccc3Br)cccc2[cH-]1.CCc1cc2c(-c3ccccc3Br)cccc2[cH-]1.CCc1cc2c(-c3ccccc3Br)cccc2[cH-]1.CCc1cc2c(-c3ccccc3Br)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].

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

The InChIKey is IXUZGDDHJVTJHW-UHFFFAOYSA-L. The full InChI is InChI=1S/4C17H14Br.2C2H6Si.2ClH.2Zr/c4*1-2-12-10-13-6-5-8-14(16(13)11-12)15-7-3-4-9-17(15)18;2*1-3-2;;;;/h4*3-11H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.

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

tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride has a molecular weight of 1562.48 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride is sourced from PubChem (CID 18008297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).