dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride

C60H52Cl2SiZr-2 — CID 159723067

IUPACdimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(CCc2cc3c(-c4ccccc4)ccc(-c4ccccc4)c3[cH-]2)cc1.c1ccc(CCc2cc3c(-c4ccccc4)ccc(-c4ccccc4)c3[cH-]2)cc1
InChIInChI=1S/2C29H23.C2H6Si.2ClH.Zr/c2*1-4-10-22(11-5-1)16-17-23-20-28-26(24-12-6-2-7-13-24)18-19-27(29(28)21-23)25-14-8-3-9-15-25;1-3-2;;;/h2*1-15,18-21H,16-17H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyBSLUBRSRMSTGPB-UHFFFAOYSA-L
MW963.29 g/mol
LogP10.15
Rot. Bonds10

About dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride (PubChem CID 159723067) has the molecular formula C60H52Cl2SiZr-2 and a molecular weight of 963.29 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride
PubChem CID159723067
Molecular FormulaC60H52Cl2SiZr-2
Molecular Weight963.29 g/mol
Exact Mass960.23
IUPAC Namedimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(CCc2cc3c(-c4ccccc4)ccc(-c4ccccc4)c3[cH-]2)cc1.c1ccc(CCc2cc3c(-c4ccccc4)ccc(-c4ccccc4)c3[cH-]2)cc1
InChIInChI=1S/2C29H23.C2H6Si.2ClH.Zr/c2*1-4-10-22(11-5-1)16-17-23-20-28-26(24-12-6-2-7-13-24)18-19-27(29(28)21-23)25-14-8-3-9-15-25;1-3-2;;;/h2*1-15,18-21H,16-17H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyBSLUBRSRMSTGPB-UHFFFAOYSA-L
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.29
LogP ≤ 510.15
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(4,7-bis(4-methylphenyl)-2-propyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 159373128
bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 160700012
CID 173016339
CID 173016339
bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173142083
CID 140555239
CID 140555239
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
CID 173016283
CID 173016283
dimethylsilylidenezirconium(2+);2-ethyl-4-(4-ethylphenyl)-7-methyl-1H-inden-1-ide;4-(4-ethylphenyl)-2,7-dimethyl-1H-inden-1-ide;dichloride
CID 160851990
CID 87142271
CID 87142271
CID 173016305
CID 173016305
CID 87142246
CID 87142246

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride (CID 159723067) is dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride is C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(CCc2cc3c(-c4ccccc4)ccc(-c4ccccc4)c3[cH-]2)cc1.c1ccc(CCc2cc3c(-c4ccccc4)ccc(-c4ccccc4)c3[cH-]2)cc1.
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride?
The InChIKey is BSLUBRSRMSTGPB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C29H23.C2H6Si.2ClH.Zr/c2*1-4-10-22(11-5-1)16-17-23-20-28-26(24-12-6-2-7-13-24)18-19-27(29(28)21-23)25-14-8-3-9-15-25;1-3-2;;;/h2*1-15,18-21H,16-17H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride has a molecular weight of 963.29 g/mol, XLogP of 10.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 159723067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).