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

C66H64Cl2SiZr-2 — CID 160700012

IUPACbis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.[Cl-].[Cl-]
InChIInChI=1S/2C32H29.C2H6Si.2ClH.Zr/c2*1-22-9-13-27(14-10-22)29-17-18-30(28-15-11-23(2)12-16-28)32-21-25(20-31(29)32)19-24(3)26-7-5-4-6-8-26;1-3-2;;;/h2*4-18,20-21,24H,19H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWFZVTVXMOAGUBN-UHFFFAOYSA-L
MW1047.45 g/mol
LogP12.50
Rot. Bonds10

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

bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (PubChem CID 160700012) has the molecular formula C66H64Cl2SiZr-2 and a molecular weight of 1047.45 g/mol. Its IUPAC name is bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
PubChem CID160700012
Molecular FormulaC66H64Cl2SiZr-2
Molecular Weight1047.45 g/mol
Exact Mass1044.32
IUPAC Namebis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.[Cl-].[Cl-]
InChIInChI=1S/2C32H29.C2H6Si.2ClH.Zr/c2*1-22-9-13-27(14-10-22)29-17-18-30(28-15-11-23(2)12-16-28)32-21-25(20-31(29)32)19-24(3)26-7-5-4-6-8-26;1-3-2;;;/h2*4-18,20-21,24H,19H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWFZVTVXMOAGUBN-UHFFFAOYSA-L
XLogP12.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.45
LogP ≤ 512.50
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
dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride
CID 159723067
dimethylsilylidenezirconium(2+);bis(1-[7-naphthalen-1-yl-2-(2-phenylbutyl)-1H-inden-1-id-4-yl]naphthalene);dichloride
CID 158738733
CID 140555239
CID 140555239
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
2-butan-2-yl-4-phenyl-1H-inden-1-ide;2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 159487976
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 173016305
CID 173016305
bis(1-(2-butan-2-yl-7-naphthalen-1-yl-1H-inden-1-id-4-yl)naphthalene);dimethylsilylidenezirconium(2+);dichloride
CID 159974336
CID 173016339
CID 173016339
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029

Frequently Asked Questions

What is the IUPAC name of bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (CID 160700012) is bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is C[Si](C)=[Zr+2].Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.[Cl-].[Cl-].
What is the InChIKey of bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is WFZVTVXMOAGUBN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C32H29.C2H6Si.2ClH.Zr/c2*1-22-9-13-27(14-10-22)29-17-18-30(28-15-11-23(2)12-16-28)32-21-25(20-31(29)32)19-24(3)26-7-5-4-6-8-26;1-3-2;;;/h2*4-18,20-21,24H,19H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 1047.45 g/mol, XLogP of 12.50, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 160700012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).