bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride

C22H26ClSiZr-3 — CID 172718610

IUPACbis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride
SMILESCl.[CH2-]C(C)C.[SiH2]=[Zr].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C4H9.ClH.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-4(2)3;;;/h2*1-7H;4H,1H2,2-3H3;1H;1H2;/q3*-1;;;
InChIKeyUYHYZNVTMFYCAS-UHFFFAOYSA-N
MW445.21 g/mol
LogP6.10
Rot. Bonds

About bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride

bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride (PubChem CID 172718610) has the molecular formula C22H26ClSiZr-3 and a molecular weight of 445.21 g/mol. Its IUPAC name is bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride.

Molecular Properties

Compound Namebis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride
PubChem CID172718610
Molecular FormulaC22H26ClSiZr-3
Molecular Weight445.21 g/mol
Exact Mass443.06
IUPAC Namebis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride
SMILESCl.[CH2-]C(C)C.[SiH2]=[Zr].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C4H9.ClH.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-4(2)3;;;/h2*1-7H;4H,1H2,2-3H3;1H;1H2;/q3*-1;;;
InChIKeyUYHYZNVTMFYCAS-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.21
LogP ≤ 56.10
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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Related Compounds

1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)
CID 173275600
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
CID 172747383
CID 172747383
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
magnesium;1H-inden-1-ide;bromide
CID 12823996
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
CID 87101004
CID 87101004
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
CID 173008523
CID 173008523
bis(1H-inden-1-ide);3-methylbutan-2-ylidenezirconium(2+);dichloride
CID 162097269

Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride?
The IUPAC name of bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride (CID 172718610) is bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride.
What is the SMILES notation for bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride?
The canonical SMILES for bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride is Cl.[CH2-]C(C)C.[SiH2]=[Zr].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride?
The InChIKey is UYHYZNVTMFYCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.C4H9.ClH.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-4(2)3;;;/h2*1-7H;4H,1H2,2-3H3;1H;1H2;/q3*-1;;;.
What are the key properties of bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride?
bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride has a molecular weight of 445.21 g/mol, XLogP of 6.10, 0 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);2-methanidylpropane;silylidenezirconium;hydrochloride is sourced from PubChem (CID 172718610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).