bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)

C54H58N2Si2Zr2 — CID 173216671

IUPACbis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)
SMILESCNc1ccccc1.CNc1ccccc1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C7H9N.2C2H6Si.2Zr/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;2*1-3-2;;/h4*1-7H;2*2-6,8H,1H3;2*1-2H3;;/q4*-1;;;;;2*+2
InChIKeyXIROLLJDUJVLBQ-UHFFFAOYSA-N
MW973.69 g/mol
LogP15.26
Rot. Bonds2

About bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)

bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline) (PubChem CID 173216671) has the molecular formula C54H58N2Si2Zr2 and a molecular weight of 973.69 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline).

Molecular Properties

Compound Namebis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)
PubChem CID173216671
Molecular FormulaC54H58N2Si2Zr2
Molecular Weight973.69 g/mol
Exact Mass970.22
IUPAC Namebis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)
SMILESCNc1ccccc1.CNc1ccccc1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C7H9N.2C2H6Si.2Zr/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;2*1-3-2;;/h4*1-7H;2*2-6,8H,1H3;2*1-2H3;;/q4*-1;;;;;2*+2
InChIKeyXIROLLJDUJVLBQ-UHFFFAOYSA-N
XLogP15.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.69
LogP ≤ 515.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
CID 23514276
dimethylsilylidenethorium(2+);bis(1H-inden-1-ide)
CID 173292725
carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)
CID 173073512
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
bis(dimethylsilylidenehafnium(2+));tetrakis(1H-inden-1-ide);dichloride
CID 22347931
dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)
CID 173275600
bis(1H-inden-1-ide);[methyl(phenyl)silylidene]titanium(2+)
CID 159293471
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
magnesium;1H-inden-1-ide;bromide
CID 12823996
tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride
CID 173134139
tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride
CID 22599312

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)?
The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline) (CID 173216671) is bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline).
What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)?
The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline) is CNc1ccccc1.CNc1ccccc1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)?
The InChIKey is XIROLLJDUJVLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H7.2C7H9N.2C2H6Si.2Zr/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;2*1-3-2;;/h4*1-7H;2*2-6,8H,1H3;2*1-2H3;;/q4*-1;;;;;2*+2.
What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline)?
bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline) has a molecular weight of 973.69 g/mol, XLogP of 15.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenezirconium(2+));tetrakis(1H-inden-1-ide);bis(N-methylaniline) is sourced from PubChem (CID 173216671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).