bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)

C40H44SiZr — CID 158920886

IUPACbis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
SMILESC[Si](C)=[Zr+2].Cc1cc2c(CCc3ccccc3)ccc(C)c2[cH-]1.Cc1cc2c(CCc3ccccc3)ccc(C)c2[cH-]1
InChIInChI=1S/2C19H19.C2H6Si.Zr/c2*1-14-12-18-15(2)8-10-17(19(18)13-14)11-9-16-6-4-3-5-7-16;1-3-2;/h2*3-8,10,12-13H,9,11H2,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyQLZAPMUPNHJZEJ-UHFFFAOYSA-N
MW644.10 g/mol
LogP10.71
Rot. Bonds6

About bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)

bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+) (PubChem CID 158920886) has the molecular formula C40H44SiZr and a molecular weight of 644.10 g/mol. Its IUPAC name is bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+).

Molecular Properties

Compound Namebis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
PubChem CID158920886
Molecular FormulaC40H44SiZr
Molecular Weight644.10 g/mol
Exact Mass642.23
IUPAC Namebis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
SMILESC[Si](C)=[Zr+2].Cc1cc2c(CCc3ccccc3)ccc(C)c2[cH-]1.Cc1cc2c(CCc3ccccc3)ccc(C)c2[cH-]1
InChIInChI=1S/2C19H19.C2H6Si.Zr/c2*1-14-12-18-15(2)8-10-17(19(18)13-14)11-9-16-6-4-3-5-7-16;1-3-2;/h2*3-8,10,12-13H,9,11H2,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyQLZAPMUPNHJZEJ-UHFFFAOYSA-N
XLogP10.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.10
LogP ≤ 510.71
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

bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
CID 22602465
CID 87846848
CID 87846848
CID 159572183
CID 159572183
bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+);dichloride
CID 158250313
bis(4-butan-2-yl-2,7-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157327552
dichloro(dimethylsilylidene)zirconium;bis(2,3,7-trimethyl-4-(2-phenylethyl)-1H-inden-1-ide)
CID 87482722
CID 172801081
CID 172801081
CID 173193882
CID 173193882
titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
CID 160602181
titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride
CID 174467662
2,4,7-trimethyl-1H-inden-1-ide;zirconium(3+);diiodide
CID 158280071
dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride
CID 159723067

Frequently Asked Questions

What is the IUPAC name of bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)?
The IUPAC name of bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+) (CID 158920886) is bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+).
What is the SMILES notation for bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)?
The canonical SMILES for bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+) is C[Si](C)=[Zr+2].Cc1cc2c(CCc3ccccc3)ccc(C)c2[cH-]1.Cc1cc2c(CCc3ccccc3)ccc(C)c2[cH-]1.
What is the InChIKey of bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)?
The InChIKey is QLZAPMUPNHJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19.C2H6Si.Zr/c2*1-14-12-18-15(2)8-10-17(19(18)13-14)11-9-16-6-4-3-5-7-16;1-3-2;/h2*3-8,10,12-13H,9,11H2,1-2H3;1-2H3;/q2*-1;;+2.
What are the key properties of bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)?
bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+) has a molecular weight of 644.10 g/mol, XLogP of 10.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+) is sourced from PubChem (CID 158920886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).