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

C72H104Cl2Si2Zr2-2 — CID 22602465

IUPACbis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
SMILESCCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C17H23.2C2H6Si.2ClH.2Zr/c4*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;2*1-3-2;;;;/h4*9-12H,4-8H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyKOFBEGMIMHFKRT-UHFFFAOYSA-L
MW1279.15 g/mol
LogP16.77
Rot. Bonds20

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

bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride (PubChem CID 22602465) has the molecular formula C72H104Cl2Si2Zr2-2 and a molecular weight of 1279.15 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namebis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
PubChem CID22602465
Molecular FormulaC72H104Cl2Si2Zr2-2
Molecular Weight1279.15 g/mol
Exact Mass1274.52
IUPAC Namebis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
SMILESCCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C17H23.2C2H6Si.2ClH.2Zr/c4*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;2*1-3-2;;;;/h4*9-12H,4-8H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyKOFBEGMIMHFKRT-UHFFFAOYSA-L
XLogP16.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.15
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
CID 161403198
dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide
CID 174402976
CID 173193882
CID 173193882
bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
CID 158920886
CID 172801081
CID 172801081
bis(4-butan-2-yl-2,7-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157327552
CID 87846848
CID 87846848
CID 159572183
CID 159572183
titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride
CID 174467662
tris(titanium(2+));tris(2,4,7-trimethyl-1H-inden-1-ide);trichloride
CID 19696978
titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
CID 160602181
7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
CID 161230348

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride?
The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride (CID 22602465) is bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride is CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride?
The InChIKey is KOFBEGMIMHFKRT-UHFFFAOYSA-L. The full InChI is InChI=1S/4C17H23.2C2H6Si.2ClH.2Zr/c4*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;2*1-3-2;;;;/h4*9-12H,4-8H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride?
bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride has a molecular weight of 1279.15 g/mol, XLogP of 16.77, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 22602465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).