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

C68H64Cl2Hf2Si2-2 — CID 173133719

IUPACtetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride
SMILESCc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H10Si.4C11H11.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-8-6-10-5-3-4-9(2)11(10)7-8;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2
InChIKeyDYEIWPVQBADMQN-UHFFFAOYSA-L
MW1365.32 g/mol
LogP9.39
Rot. Bonds4

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

tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride (PubChem CID 173133719) has the molecular formula C68H64Cl2Hf2Si2-2 and a molecular weight of 1365.32 g/mol. Its IUPAC name is tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride
PubChem CID173133719
Molecular FormulaC68H64Cl2Hf2Si2-2
Molecular Weight1365.32 g/mol
Exact Mass1366.29
IUPAC Nametetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride
SMILESCc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H10Si.4C11H11.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-8-6-10-5-3-4-9(2)11(10)7-8;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2
InChIKeyDYEIWPVQBADMQN-UHFFFAOYSA-L
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001365.32
LogP ≤ 59.39
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(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride
CID 87565955
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
diphenylsilylidenehafnium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 87676842
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
CID 87410533
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride
CID 18326867
2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 162036346
CID 87106842
CID 87106842
CID 87107741
CID 87107741
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride?
The IUPAC name of tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride (CID 173133719) is tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride.
What is the SMILES notation for tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride?
The canonical SMILES for tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride is Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride?
The InChIKey is DYEIWPVQBADMQN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10Si.4C11H11.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-8-6-10-5-3-4-9(2)11(10)7-8;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2.
What are the key properties of tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride?
tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride has a molecular weight of 1365.32 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride is sourced from PubChem (CID 173133719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).