bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride

C19H15Cl2HfP — CID 21094981

IUPACbis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride
SMILESCP(c1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C19H15P.2ClH.Hf/c1-20(18-10-14-6-2-3-7-15(14)11-18)19-12-16-8-4-5-9-17(16)13-19;;;/h2-13H,1H3;2*1H;/q-2;;;+4/p-2
InChIKeyVTIDHBKQRSTMBD-UHFFFAOYSA-L
MW523.70 g/mol
LogP-1.50
Rot. Bonds2

About bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride

bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride (PubChem CID 21094981) has the molecular formula C19H15Cl2HfP and a molecular weight of 523.70 g/mol. Its IUPAC name is bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride.

Molecular Properties

Compound Namebis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride
PubChem CID21094981
Molecular FormulaC19H15Cl2HfP
Molecular Weight523.70 g/mol
Exact Mass523.98
IUPAC Namebis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride
SMILESCP(c1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C19H15P.2ClH.Hf/c1-20(18-10-14-6-2-3-7-15(14)11-18)19-12-16-8-4-5-9-17(16)13-19;;;/h2-13H,1H3;2*1H;/q-2;;;+4/p-2
InChIKeyVTIDHBKQRSTMBD-UHFFFAOYSA-L
XLogP-1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.70
LogP ≤ 5-1.50
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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Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride?
The IUPAC name of bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride (CID 21094981) is bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride.
What is the SMILES notation for bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride?
The canonical SMILES for bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride is CP(c1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride?
The InChIKey is VTIDHBKQRSTMBD-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H15P.2ClH.Hf/c1-20(18-10-14-6-2-3-7-15(14)11-18)19-12-16-8-4-5-9-17(16)13-19;;;/h2-13H,1H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride?
bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride has a molecular weight of 523.70 g/mol, XLogP of -1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-id-2-yl)-methylphosphane;hafnium(4+);dichloride is sourced from PubChem (CID 21094981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).