bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride

C24H26Br2Cl2SiZr-2 — CID 159514263

IUPACbis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(C)cc(Br)cc2[cH-]1.Cc1cc2c(C)cc(Br)cc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C11H10Br.C2H6Si.2ClH.Zr/c2*1-7-3-9-6-10(12)5-8(2)11(9)4-7;1-3-2;;;/h2*3-6H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeySORFOZOJBOHQEM-UHFFFAOYSA-L
MW664.50 g/mol
LogP2.67
Rot. Bonds

About bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride

bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (PubChem CID 159514263) has the molecular formula C24H26Br2Cl2SiZr-2 and a molecular weight of 664.50 g/mol. Its IUPAC name is bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
PubChem CID159514263
Molecular FormulaC24H26Br2Cl2SiZr-2
Molecular Weight664.50 g/mol
Exact Mass659.86
IUPAC Namebis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(C)cc(Br)cc2[cH-]1.Cc1cc2c(C)cc(Br)cc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C11H10Br.C2H6Si.2ClH.Zr/c2*1-7-3-9-6-10(12)5-8(2)11(9)4-7;1-3-2;;;/h2*3-6H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeySORFOZOJBOHQEM-UHFFFAOYSA-L
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.50
LogP ≤ 52.67
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(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 160524895
bis((7-bromo-2-methyl-3H-inden-3-id-5-yl)-dimethylphosphane);dimethylsilylidenezirconium(2+);dichloride
CID 159633593
tetrakis(2,4,6-trimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 22463162
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride
CID 159306845
CID 87401986
CID 87401986
bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride
CID 87565955
dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)
CID 173326537
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
bis(4-(4-benzylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173111924

Frequently Asked Questions

What is the IUPAC name of bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (CID 159514263) is bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is C[Si](C)=[Zr+2].Cc1cc2c(C)cc(Br)cc2[cH-]1.Cc1cc2c(C)cc(Br)cc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is SORFOZOJBOHQEM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H10Br.C2H6Si.2ClH.Zr/c2*1-7-3-9-6-10(12)5-8(2)11(9)4-7;1-3-2;;;/h2*3-6H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 664.50 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 159514263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).