bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride

C26H18Cl3Zr-2 — CID 157229521

IUPACbis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
SMILES[Cl-].[Cl-].[Cl-].[Zr+3].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.3ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*1-5,7-8H,9H2;3*1H;/q2*-1;;;;+3/p-3
InChIKeyUOFRZNFCILRVII-UHFFFAOYSA-K
MW528.01 g/mol
LogP-2.87
Rot. Bonds

About bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride

bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride (PubChem CID 157229521) has the molecular formula C26H18Cl3Zr-2 and a molecular weight of 528.01 g/mol. Its IUPAC name is bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride.

Molecular Properties

Compound Namebis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
PubChem CID157229521
Molecular FormulaC26H18Cl3Zr-2
Molecular Weight528.01 g/mol
Exact Mass524.95
IUPAC Namebis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
SMILES[Cl-].[Cl-].[Cl-].[Zr+3].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.3ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*1-5,7-8H,9H2;3*1H;/q2*-1;;;;+3/p-3
InChIKeyUOFRZNFCILRVII-UHFFFAOYSA-K
XLogP-2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.01
LogP ≤ 5-2.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride?
The IUPAC name of bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride (CID 157229521) is bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride.
What is the SMILES notation for bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride?
The canonical SMILES for bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride is [Cl-].[Cl-].[Cl-].[Zr+3].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride?
The InChIKey is UOFRZNFCILRVII-UHFFFAOYSA-K. The full InChI is InChI=1S/2C13H9.3ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*1-5,7-8H,9H2;3*1H;/q2*-1;;;;+3/p-3.
What are the key properties of bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride?
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride has a molecular weight of 528.01 g/mol, XLogP of -2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride is sourced from PubChem (CID 157229521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).