1-phenylinden-1-ide;zirconium;dihydroiodide

C15H13I2Zr- — CID 174711483

IUPAC1-phenylinden-1-ide;zirconium;dihydroiodide
SMILESI.I.[Zr].c1ccc(-[c-]2ccc3ccccc32)cc1
InChIInChI=1S/C15H11.2HI.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;;;
InChIKeyMHMHEXXGTHHMNG-UHFFFAOYSA-N
MW538.30 g/mol
LogP5.46
Rot. Bonds1

About 1-phenylinden-1-ide;zirconium;dihydroiodide

1-phenylinden-1-ide;zirconium;dihydroiodide (PubChem CID 174711483) has the molecular formula C15H13I2Zr- and a molecular weight of 538.30 g/mol. Its IUPAC name is 1-phenylinden-1-ide;zirconium;dihydroiodide.

Molecular Properties

Compound Name1-phenylinden-1-ide;zirconium;dihydroiodide
PubChem CID174711483
Molecular FormulaC15H13I2Zr-
Molecular Weight538.30 g/mol
Exact Mass536.82
IUPAC Name1-phenylinden-1-ide;zirconium;dihydroiodide
SMILESI.I.[Zr].c1ccc(-[c-]2ccc3ccccc32)cc1
InChIInChI=1S/C15H11.2HI.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;;;
InChIKeyMHMHEXXGTHHMNG-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.30
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenylinden-1-ide;zirconium;dihydroiodide?
The IUPAC name of 1-phenylinden-1-ide;zirconium;dihydroiodide (CID 174711483) is 1-phenylinden-1-ide;zirconium;dihydroiodide.
What is the SMILES notation for 1-phenylinden-1-ide;zirconium;dihydroiodide?
The canonical SMILES for 1-phenylinden-1-ide;zirconium;dihydroiodide is I.I.[Zr].c1ccc(-[c-]2ccc3ccccc32)cc1.
What is the InChIKey of 1-phenylinden-1-ide;zirconium;dihydroiodide?
The InChIKey is MHMHEXXGTHHMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11.2HI.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;dihydroiodide?
1-phenylinden-1-ide;zirconium;dihydroiodide has a molecular weight of 538.30 g/mol, XLogP of 5.46, 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;dihydroiodide is sourced from PubChem (CID 174711483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).