bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride

C24H19Cl2HfP-2 — CID 87676764

IUPACbis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride
SMILES[Cl-].[Cl-].[Hf+2]=Pc1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H5P.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;;/h2*1-7H;1-5H;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGRLLGZYHHMBXDN-UHFFFAOYSA-L
MW587.79 g/mol
LogP0.85
Rot. Bonds1

About bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride

bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride (PubChem CID 87676764) has the molecular formula C24H19Cl2HfP-2 and a molecular weight of 587.79 g/mol. Its IUPAC name is bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride.

Molecular Properties

Compound Namebis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride
PubChem CID87676764
Molecular FormulaC24H19Cl2HfP-2
Molecular Weight587.79 g/mol
Exact Mass588.01
IUPAC Namebis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride
SMILES[Cl-].[Cl-].[Hf+2]=Pc1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H5P.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;;/h2*1-7H;1-5H;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGRLLGZYHHMBXDN-UHFFFAOYSA-L
XLogP0.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.79
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride?
The IUPAC name of bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride (CID 87676764) is bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride.
What is the SMILES notation for bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride?
The canonical SMILES for bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride is [Cl-].[Cl-].[Hf+2]=Pc1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride?
The InChIKey is GRLLGZYHHMBXDN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C6H5P.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;;/h2*1-7H;1-5H;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride?
bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride has a molecular weight of 587.79 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-ide);phenylphosphanylidenehafnium(2+);dichloride is sourced from PubChem (CID 87676764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).