benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride

C15H15Cl2PZr — CID 172759266

IUPACbenzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride
SMILESP.[Cl-].[Cl-].[Zr+4].[c-]1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H5.2ClH.H3P.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;/h1-7H;1-5H;2*1H;1H3;/q2*-1;;;;+4/p-2
InChIKeyPEDZVODROHQOTN-UHFFFAOYSA-L
MW388.39 g/mol
LogP-1.89
Rot. Bonds

About benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride

benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride (PubChem CID 172759266) has the molecular formula C15H15Cl2PZr and a molecular weight of 388.39 g/mol. Its IUPAC name is benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride.

Molecular Properties

Compound Namebenzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride
PubChem CID172759266
Molecular FormulaC15H15Cl2PZr
Molecular Weight388.39 g/mol
Exact Mass385.93
IUPAC Namebenzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride
SMILESP.[Cl-].[Cl-].[Zr+4].[c-]1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H5.2ClH.H3P.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;/h1-7H;1-5H;2*1H;1H3;/q2*-1;;;;+4/p-2
InChIKeyPEDZVODROHQOTN-UHFFFAOYSA-L
XLogP-1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 5-1.89
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'}

Analyze benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride?
The IUPAC name of benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride (CID 172759266) is benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride.
What is the SMILES notation for benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride?
The canonical SMILES for benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride is P.[Cl-].[Cl-].[Zr+4].[c-]1ccccc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride?
The InChIKey is PEDZVODROHQOTN-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C6H5.2ClH.H3P.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;/h1-7H;1-5H;2*1H;1H3;/q2*-1;;;;+4/p-2.
What are the key properties of benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride?
benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride has a molecular weight of 388.39 g/mol, XLogP of -1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride is sourced from PubChem (CID 172759266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).