2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride

C40H46Cl2Si2Zr-2 — CID 162217794

IUPAC2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride
SMILESCC(C)c1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3)ccc(C)c2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C21H25Si.C17H15.C2H6Si.2ClH.Zr/c1-15(2)18-13-17-7-6-8-20(21(17)14-18)16-9-11-19(12-10-16)22(3,4)5;1-12-10-16-13(2)8-9-15(17(16)11-12)14-6-4-3-5-7-14;1-3-2;;;/h6-15H,1-5H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHZHYRKSPMMDHLN-UHFFFAOYSA-L
MW745.11 g/mol
LogP5.53
Rot. Bonds4

About 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride

2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride (PubChem CID 162217794) has the molecular formula C40H46Cl2Si2Zr-2 and a molecular weight of 745.11 g/mol. Its IUPAC name is 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride.

Molecular Properties

Compound Name2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride
PubChem CID162217794
Molecular FormulaC40H46Cl2Si2Zr-2
Molecular Weight745.11 g/mol
Exact Mass742.16
IUPAC Name2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride
SMILESCC(C)c1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3)ccc(C)c2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C21H25Si.C17H15.C2H6Si.2ClH.Zr/c1-15(2)18-13-17-7-6-8-20(21(17)14-18)16-9-11-19(12-10-16)22(3,4)5;1-12-10-16-13(2)8-9-15(17(16)11-12)14-6-4-3-5-7-14;1-3-2;;;/h6-15H,1-5H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHZHYRKSPMMDHLN-UHFFFAOYSA-L
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.11
LogP ≤ 55.53
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

2-butan-2-yl-4-phenyl-1H-inden-1-ide;2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 159487976
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
2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 161275670
CID 173027319
CID 173027319
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
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
CID 173027504
CID 173027504
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 87188978
CID 87188978
CID 173027702
CID 173027702
CID 87188856
CID 87188856
CID 87189232
CID 87189232

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride?
The IUPAC name of 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride (CID 162217794) is 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride.
What is the SMILES notation for 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride?
The canonical SMILES for 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride is CC(C)c1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3)ccc(C)c2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride?
The InChIKey is HZHYRKSPMMDHLN-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H25Si.C17H15.C2H6Si.2ClH.Zr/c1-15(2)18-13-17-7-6-8-20(21(17)14-18)16-9-11-19(12-10-16)22(3,4)5;1-12-10-16-13(2)8-9-15(17(16)11-12)14-6-4-3-5-7-14;1-3-2;;;/h6-15H,1-5H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride?
2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride has a molecular weight of 745.11 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride is sourced from PubChem (CID 162217794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).