dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)

C30H24Cl2HfSi-2 — CID 173133889

IUPACdichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)
SMILESCl[Hf](Cl)=[Si](c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H10Si.2C9H7.2ClH.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-5-9-7-3-6-8(9)4-1;;;/h1-10H;2*1-7H;2*1H;/q;2*-1;;;+2/p-2
InChIKeyJHSHLXWGXWPZEH-UHFFFAOYSA-L
MW662.00 g/mol
LogP7.84
Rot. Bonds2

About dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)

dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide) (PubChem CID 173133889) has the molecular formula C30H24Cl2HfSi-2 and a molecular weight of 662.00 g/mol. Its IUPAC name is dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)
PubChem CID173133889
Molecular FormulaC30H24Cl2HfSi-2
Molecular Weight662.00 g/mol
Exact Mass662.05
IUPAC Namedichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)
SMILESCl[Hf](Cl)=[Si](c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H10Si.2C9H7.2ClH.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-5-9-7-3-6-8(9)4-1;;;/h1-10H;2*1-7H;2*1H;/q;2*-1;;;+2/p-2
InChIKeyJHSHLXWGXWPZEH-UHFFFAOYSA-L
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.00
LogP ≤ 57.84
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 dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)?
The IUPAC name of dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide) (CID 173133889) is dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide).
What is the SMILES notation for dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)?
The canonical SMILES for dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide) is Cl[Hf](Cl)=[Si](c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)?
The InChIKey is JHSHLXWGXWPZEH-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10Si.2C9H7.2ClH.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-5-9-7-3-6-8(9)4-1;;;/h1-10H;2*1-7H;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)?
dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide) has a molecular weight of 662.00 g/mol, XLogP of 7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide) is sourced from PubChem (CID 173133889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).