bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)

C25H22SiZr — CID 23514276

IUPACbis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
SMILESC[Si](=[Zr+2])c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C7H8Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-8-7-5-3-2-4-6-7;/h2*1-7H;2-6H,1H3;/q2*-1;;+2
InChIKeyUGZBWOSFKLDJKK-UHFFFAOYSA-N
MW441.76 g/mol
LogP6.18
Rot. Bonds1

About bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)

bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+) (PubChem CID 23514276) has the molecular formula C25H22SiZr and a molecular weight of 441.76 g/mol. Its IUPAC name is bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+).

Molecular Properties

Compound Namebis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
PubChem CID23514276
Molecular FormulaC25H22SiZr
Molecular Weight441.76 g/mol
Exact Mass440.05
IUPAC Namebis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
SMILESC[Si](=[Zr+2])c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C7H8Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-8-7-5-3-2-4-6-7;/h2*1-7H;2-6H,1H3;/q2*-1;;+2
InChIKeyUGZBWOSFKLDJKK-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.76
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)?
The IUPAC name of bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+) (CID 23514276) is bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+).
What is the SMILES notation for bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)?
The canonical SMILES for bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+) is C[Si](=[Zr+2])c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)?
The InChIKey is UGZBWOSFKLDJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.C7H8Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-8-7-5-3-2-4-6-7;/h2*1-7H;2-6H,1H3;/q2*-1;;+2.
What are the key properties of bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)?
bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+) has a molecular weight of 441.76 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+) is sourced from PubChem (CID 23514276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).