4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

C43H50Cl2SiZr-2 — CID 158140272

IUPAC4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc(-c2ccc(C(C)(C)C)cc2)c2cc(C)[cH-]c2c1.Cc1ccc(C)c(-c2cccc3[cH-]c(C(C)C)cc23)c1.[Cl-].[Cl-]
InChIInChI=1S/C21H23.C20H21.C2H6Si.2ClH.Zr/c1-14-10-17-11-15(2)13-20(17)19(12-14)16-6-8-18(9-7-16)21(3,4)5;1-13(2)17-11-16-6-5-7-18(20(16)12-17)19-10-14(3)8-9-15(19)4;1-3-2;;;/h6-13H,1-5H3;5-13H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyLGEBFZSBWQDIRB-UHFFFAOYSA-L
MW757.09 g/mol
LogP6.90
Rot. Bonds3

About 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride (PubChem CID 158140272) has the molecular formula C43H50Cl2SiZr-2 and a molecular weight of 757.09 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
PubChem CID158140272
Molecular FormulaC43H50Cl2SiZr-2
Molecular Weight757.09 g/mol
Exact Mass754.21
IUPAC Name4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc(-c2ccc(C(C)(C)C)cc2)c2cc(C)[cH-]c2c1.Cc1ccc(C)c(-c2cccc3[cH-]c(C(C)C)cc23)c1.[Cl-].[Cl-]
InChIInChI=1S/C21H23.C20H21.C2H6Si.2ClH.Zr/c1-14-10-17-11-15(2)13-20(17)19(12-14)16-6-8-18(9-7-16)21(3,4)5;1-13(2)17-11-16-6-5-7-18(20(16)12-17)19-10-14(3)8-9-15(19)4;1-3-2;;;/h6-13H,1-5H3;5-13H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyLGEBFZSBWQDIRB-UHFFFAOYSA-L
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.09
LogP ≤ 56.90
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'}

Analyze 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride with MolForge

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Related Compounds

CID 173124123
CID 173124123
CID 173124092
CID 173124092
CID 173027253
CID 173027253
7-butyl-4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 159321483
CID 87508781
CID 87508781
4-(4-tert-butylphenyl)-2,7-dimethyl-1H-inden-1-ide;4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-ide;carbanide;methylidenezirconium;dihydrochloride
CID 87188187
CID 87633332
CID 87633332
CID 173124274
CID 173124274
CID 173103967
CID 173103967
CID 87633136
CID 87633136
dimethylsilylidenezirconium(2+);1-[4-(2-methyl-1H-inden-1-id-4-yl)phenyl]adamantane;1-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]adamantane;dichloride
CID 158262342
1-(2,7-dimethyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);4-(3-methylphenyl)-2-propan-2-yl-1H-inden-1-ide;dichloride
CID 158823228

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride (CID 158140272) is 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride is C[Si](C)=[Zr+2].Cc1cc(-c2ccc(C(C)(C)C)cc2)c2cc(C)[cH-]c2c1.Cc1ccc(C)c(-c2cccc3[cH-]c(C(C)C)cc23)c1.[Cl-].[Cl-].
What is the InChIKey of 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is LGEBFZSBWQDIRB-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H23.C20H21.C2H6Si.2ClH.Zr/c1-14-10-17-11-15(2)13-20(17)19(12-14)16-6-8-18(9-7-16)21(3,4)5;1-13(2)17-11-16-6-5-7-18(20(16)12-17)19-10-14(3)8-9-15(19)4;1-3-2;;;/h6-13H,1-5H3;5-13H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 757.09 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 158140272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).