tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride

C92H108Cl2Zr2-2 — CID 22283856

About tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride

tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride (PubChem CID 22283856) has the molecular formula C92H108Cl2Zr2-2 and a molecular weight of 1467.23 g/mol. Its IUPAC name is tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride.

Molecular Properties

• Compound Name: tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride
• PubChem CID: 22283856
• Molecular Formula: C92H108Cl2Zr2-2
• Molecular Weight: 1467.23 g/mol
• Exact Mass: 1462.59
• IUPAC Name: tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride
• SMILES: CC(C)(C)c1cc(-c2cc3ccccc3[cH-]2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc3ccccc3[cH-]2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc3ccccc3[cH-]2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc3ccccc3[cH-]2)cc(C(C)(C)C)c1.[Cl-].[Cl-].[Zr+2].[Zr+2]
• InChI: InChI=1S/4C23H27.2ClH.2Zr/c4*1-22(2,3)20-13-19(14-21(15-20)23(4,5)6)18-11-16-9-7-8-10-17(16)12-18;;;;/h4*7-15H,1-6H3;2*1H;;/q4*-1;;;2*+2/p-2
• InChIKey: QPAOGGHNKYSGCT-UHFFFAOYSA-L
• XLogP: 21.29
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.23
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride?

The IUPAC name of tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride (CID 22283856) is tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride.

What is the SMILES notation for tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride?

The canonical SMILES for tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride is CC(C)(C)c1cc(-c2cc3ccccc3[cH-]2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc3ccccc3[cH-]2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc3ccccc3[cH-]2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc3ccccc3[cH-]2)cc(C(C)(C)C)c1.[Cl-].[Cl-].[Zr+2].[Zr+2].

What is the InChIKey of tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride?

The InChIKey is QPAOGGHNKYSGCT-UHFFFAOYSA-L. The full InChI is InChI=1S/4C23H27.2ClH.2Zr/c4*1-22(2,3)20-13-19(14-21(15-20)23(4,5)6)18-11-16-9-7-8-10-17(16)12-18;;;;/h4*7-15H,1-6H3;2*1H;;/q4*-1;;;2*+2/p-2.

What are the key properties of tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride?

tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride has a molecular weight of 1467.23 g/mol, XLogP of 21.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride is sourced from PubChem (CID 22283856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).