1-phenylinden-1-ide;zirconium;dihydrochloride

C15H13Cl2Zr- — CID 174700914

IUPAC1-phenylinden-1-ide;zirconium;dihydrochloride
SMILESCl.Cl.[Zr].c1ccc(-[c-]2ccc3ccccc32)cc1
InChIInChI=1S/C15H11.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h1-11H;2*1H;/q-1;;;
InChIKeyVQTGXYRHECTDIS-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.07
Rot. Bonds1

About 1-phenylinden-1-ide;zirconium;dihydrochloride

1-phenylinden-1-ide;zirconium;dihydrochloride (PubChem CID 174700914) has the molecular formula C15H13Cl2Zr- and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-phenylinden-1-ide;zirconium;dihydrochloride.

Molecular Properties

Compound Name1-phenylinden-1-ide;zirconium;dihydrochloride
PubChem CID174700914
Molecular FormulaC15H13Cl2Zr-
Molecular Weight355.40 g/mol
Exact Mass352.94
IUPAC Name1-phenylinden-1-ide;zirconium;dihydrochloride
SMILESCl.Cl.[Zr].c1ccc(-[c-]2ccc3ccccc32)cc1
InChIInChI=1S/C15H11.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h1-11H;2*1H;/q-1;;;
InChIKeyVQTGXYRHECTDIS-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.07
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 1-phenylinden-1-ide;zirconium;dihydrochloride?
The IUPAC name of 1-phenylinden-1-ide;zirconium;dihydrochloride (CID 174700914) is 1-phenylinden-1-ide;zirconium;dihydrochloride.
What is the SMILES notation for 1-phenylinden-1-ide;zirconium;dihydrochloride?
The canonical SMILES for 1-phenylinden-1-ide;zirconium;dihydrochloride is Cl.Cl.[Zr].c1ccc(-[c-]2ccc3ccccc32)cc1.
What is the InChIKey of 1-phenylinden-1-ide;zirconium;dihydrochloride?
The InChIKey is VQTGXYRHECTDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h1-11H;2*1H;/q-1;;;.
What are the key properties of 1-phenylinden-1-ide;zirconium;dihydrochloride?
1-phenylinden-1-ide;zirconium;dihydrochloride has a molecular weight of 355.40 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylinden-1-ide;zirconium;dihydrochloride is sourced from PubChem (CID 174700914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).