bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)

C24H28HfSi — CID 175999489

IUPACbis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
SMILESC[Si](C)=[Hf+2].Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12
InChIInChI=1S/2C11H11.C2H6Si.Hf/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;1-3-2;/h2*3-7H,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyXWGNBOAGMKDFPG-UHFFFAOYSA-N
MW523.06 g/mol
LogP7.14
Rot. Bonds

About bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)

bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) (PubChem CID 175999489) has the molecular formula C24H28HfSi and a molecular weight of 523.06 g/mol. Its IUPAC name is bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+).

Molecular Properties

Compound Namebis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
PubChem CID175999489
Molecular FormulaC24H28HfSi
Molecular Weight523.06 g/mol
Exact Mass524.14
IUPAC Namebis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
SMILESC[Si](C)=[Hf+2].Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12
InChIInChI=1S/2C11H11.C2H6Si.Hf/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;1-3-2;/h2*3-7H,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyXWGNBOAGMKDFPG-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.06
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)?
The IUPAC name of bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) (CID 175999489) is bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+).
What is the SMILES notation for bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)?
The canonical SMILES for bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) is C[Si](C)=[Hf+2].Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.
What is the InChIKey of bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)?
The InChIKey is XWGNBOAGMKDFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11.C2H6Si.Hf/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;1-3-2;/h2*3-7H,1-2H3;1-2H3;/q2*-1;;+2.
What are the key properties of bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)?
bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) has a molecular weight of 523.06 g/mol, XLogP of 7.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) is sourced from PubChem (CID 175999489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).