4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

C47H56Cl2SiZr-2 — CID 158632331

IUPAC4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESCC(C)c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1.CCc1cc2c(-c3ccc(C(C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C24H27.C21H23.C2H6Si.2ClH.Zr/c1-17(2)18-11-13-20(14-12-18)23-10-6-9-21-15-22(16-24(21)23)19-7-4-3-5-8-19;1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;1-3-2;;;/h6,9-17,19H,3-5,7-8H2,1-2H3;6-14H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPNAAGZRIBMXHQW-UHFFFAOYSA-L
MW811.18 g/mol
LogP8.27
Rot. Bonds5

About 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride (PubChem CID 158632331) has the molecular formula C47H56Cl2SiZr-2 and a molecular weight of 811.18 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
PubChem CID158632331
Molecular FormulaC47H56Cl2SiZr-2
Molecular Weight811.18 g/mol
Exact Mass808.26
IUPAC Name4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESCC(C)c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1.CCc1cc2c(-c3ccc(C(C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C24H27.C21H23.C2H6Si.2ClH.Zr/c1-17(2)18-11-13-20(14-12-18)23-10-6-9-21-15-22(16-24(21)23)19-7-4-3-5-8-19;1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;1-3-2;;;/h6,9-17,19H,3-5,7-8H2,1-2H3;6-14H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPNAAGZRIBMXHQW-UHFFFAOYSA-L
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.18
LogP ≤ 58.27
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-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride with MolForge

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Related Compounds

2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 158567031
CID 173134162
CID 173134162
CID 173134157
CID 173134157
CID 173133721
CID 173133721
CID 87674428
CID 87674428
2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;4-(4-butan-2-ylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 161411683
bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
CID 150708646
bis(4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide);propan-2-ylidenezirconium(2+);dichloride
CID 87996535
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 87879331
bis(4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide);carbanide;ethylidenezirconium(2+);dichloride
CID 87996054
CID 173133604
CID 173133604
2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride
CID 157437879

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride (CID 158632331) is 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride is CC(C)c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1.CCc1cc2c(-c3ccc(C(C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is PNAAGZRIBMXHQW-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H27.C21H23.C2H6Si.2ClH.Zr/c1-17(2)18-11-13-20(14-12-18)23-10-6-9-21-15-22(16-24(21)23)19-7-4-3-5-8-19;1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;1-3-2;;;/h6,9-17,19H,3-5,7-8H2,1-2H3;6-14H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 811.18 g/mol, XLogP of 8.27, 5 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-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 158632331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).