bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride

C40H44Cl2SiZr-2 — CID 173142083

IUPACbis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESCCCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCCCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C19H19.C2H6Si.2ClH.Zr/c2*1-2-3-8-15-13-17-11-7-12-18(19(17)14-15)16-9-5-4-6-10-16;1-3-2;;;/h2*4-7,9-14H,2-3,8H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyZJUWIAHNDBMDRA-UHFFFAOYSA-L
MW715.01 g/mol
LogP5.93
Rot. Bonds8

About bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride

bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (PubChem CID 173142083) has the molecular formula C40H44Cl2SiZr-2 and a molecular weight of 715.01 g/mol. Its IUPAC name is bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
PubChem CID173142083
Molecular FormulaC40H44Cl2SiZr-2
Molecular Weight715.01 g/mol
Exact Mass712.16
IUPAC Namebis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESCCCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCCCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C19H19.C2H6Si.2ClH.Zr/c2*1-2-3-8-15-13-17-11-7-12-18(19(17)14-15)16-9-5-4-6-10-16;1-3-2;;;/h2*4-7,9-14H,2-3,8H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyZJUWIAHNDBMDRA-UHFFFAOYSA-L
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.01
LogP ≤ 55.93
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(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
bis(4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 158666164
CID 87607690
CID 87607690
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
CID 87398746
CID 87398746
CID 22507886
CID 22507886
CID 173313790
CID 173313790
bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 18008225
bis(2-butyl-4-(4-propylphenyl)-1H-inden-1-ide);ethane-1,2-diol;zirconium(2+)
CID 87965673
tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008261

Frequently Asked Questions

What is the IUPAC name of bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (CID 173142083) is bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is CCCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCCCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is ZJUWIAHNDBMDRA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H19.C2H6Si.2ClH.Zr/c2*1-2-3-8-15-13-17-11-7-12-18(19(17)14-15)16-9-5-4-6-10-16;1-3-2;;;/h2*4-7,9-14H,2-3,8H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 715.01 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 173142083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).