bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride

C78H68Cl2Hf2Si2-2 — CID 22251028

About bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride

bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride (PubChem CID 22251028) has the molecular formula C78H68Cl2Hf2Si2-2 and a molecular weight of 1489.46 g/mol. Its IUPAC name is bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride.

Molecular Properties

• Compound Name: bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
• PubChem CID: 22251028
• Molecular Formula: C78H68Cl2Hf2Si2-2
• Molecular Weight: 1489.46 g/mol
• Exact Mass: 1490.32
• IUPAC Name: bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
• SMILES: C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1
• InChI: InChI=1S/2C21H15.2C16H13.2C2H6Si.2ClH.2Hf/c2*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-3-2;;;;/h2*1-15H;2*2-11H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
• InChIKey: OYMZKHIHTGCMJR-UHFFFAOYSA-L
• XLogP: 16.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1489.46
LogP ≤ 5	16.43
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(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride?

The IUPAC name of bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride (CID 22251028) is bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride.

What is the SMILES notation for bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride?

The canonical SMILES for bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride is C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.

What is the InChIKey of bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride?

The InChIKey is OYMZKHIHTGCMJR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H15.2C16H13.2C2H6Si.2ClH.2Hf/c2*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-3-2;;;;/h2*1-15H;2*2-11H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.

What are the key properties of bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride?

bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride has a molecular weight of 1489.46 g/mol, XLogP of 16.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 22251028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).