dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride

C11H14Cl3PZr — CID 157067966

IUPACdimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
SMILESCPC.[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C2H7P.3ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;;/h1-7H;3H,1-2H3;3*1H;/q-1;;;;;+4/p-3
InChIKeyTURAUQXKMWQRCJ-UHFFFAOYSA-K
MW374.79 g/mol
LogP-5.51
Rot. Bonds

About dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride

dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride (PubChem CID 157067966) has the molecular formula C11H14Cl3PZr and a molecular weight of 374.79 g/mol. Its IUPAC name is dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride.

Molecular Properties

Compound Namedimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
PubChem CID157067966
Molecular FormulaC11H14Cl3PZr
Molecular Weight374.79 g/mol
Exact Mass371.89
IUPAC Namedimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
SMILESCPC.[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C2H7P.3ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;;/h1-7H;3H,1-2H3;3*1H;/q-1;;;;;+4/p-3
InChIKeyTURAUQXKMWQRCJ-UHFFFAOYSA-K
XLogP-5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 5-5.51
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

1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
CID 22311255
CID 22311255
ethene;bis(1H-inden-1-ide);methanolate;zirconium(4+);chloride
CID 173230706
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
CID 173265041
CID 173265041
CID 158567805
CID 158567805
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
CID 173020182
CID 173020182
tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
CID 22327850
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152

Frequently Asked Questions

What is the IUPAC name of dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride?
The IUPAC name of dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride (CID 157067966) is dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride.
What is the SMILES notation for dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride?
The canonical SMILES for dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride is CPC.[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride?
The InChIKey is TURAUQXKMWQRCJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H7.C2H7P.3ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;;/h1-7H;3H,1-2H3;3*1H;/q-1;;;;;+4/p-3.
What are the key properties of dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride?
dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride has a molecular weight of 374.79 g/mol, XLogP of -5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride is sourced from PubChem (CID 157067966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).