bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride

C20H18Br2Cl2SiZr-2 — CID 160887179

IUPACbis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESBrc1cc2ccccc2[cH-]1.Brc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C9H6Br.C2H6Si.2ClH.Zr/c2*10-9-5-7-3-1-2-4-8(7)6-9;1-3-2;;;/h2*1-6H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyLTHMLRRESQSPKI-UHFFFAOYSA-L
MW608.39 g/mol
LogP1.43
Rot. Bonds

About bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride

bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (PubChem CID 160887179) has the molecular formula C20H18Br2Cl2SiZr-2 and a molecular weight of 608.39 g/mol. Its IUPAC name is bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
PubChem CID160887179
Molecular FormulaC20H18Br2Cl2SiZr-2
Molecular Weight608.39 g/mol
Exact Mass603.80
IUPAC Namebis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESBrc1cc2ccccc2[cH-]1.Brc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C9H6Br.C2H6Si.2ClH.Zr/c2*10-9-5-7-3-1-2-4-8(7)6-9;1-3-2;;;/h2*1-6H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyLTHMLRRESQSPKI-UHFFFAOYSA-L
XLogP1.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.39
LogP ≤ 51.43
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(2-bromo-1H-inden-1-ide);dichlorozirconium;sulfanide
CID 87707797
bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride
CID 21261068
CID 87500906
CID 87500906
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835
bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102
1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
CID 172816212
dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
CID 87100881
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
bis(2,6-dimethylphenolate);dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide)
CID 162202756
bis(1H-inden-1-id-2-yl(trimethyl)silane);vanadium;chloride
CID 173274406
dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 161077385
CID 157447863
CID 157447863

Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (CID 160887179) is bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is Brc1cc2ccccc2[cH-]1.Brc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is LTHMLRRESQSPKI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H6Br.C2H6Si.2ClH.Zr/c2*10-9-5-7-3-1-2-4-8(7)6-9;1-3-2;;;/h2*1-6H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 608.39 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 160887179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).