2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide

C33H40SiZr — CID 173211702

IUPAC2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide
SMILESCC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1
InChIInChI=1S/C21H25.C10H9.C2H6Si.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;/h7-13H,1-6H3;2-7H,1H3;1-2H3;/q2*-1;;+2
InChIKeyOLLMIQMONFZHLA-UHFFFAOYSA-N
MW555.99 g/mol
LogP9.96
Rot. Bonds

About 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide

2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide (PubChem CID 173211702) has the molecular formula C33H40SiZr and a molecular weight of 555.99 g/mol. Its IUPAC name is 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide.

Molecular Properties

Compound Name2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide
PubChem CID173211702
Molecular FormulaC33H40SiZr
Molecular Weight555.99 g/mol
Exact Mass554.19
IUPAC Name2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide
SMILESCC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1
InChIInChI=1S/C21H25.C10H9.C2H6Si.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;/h7-13H,1-6H3;2-7H,1H3;1-2H3;/q2*-1;;+2
InChIKeyOLLMIQMONFZHLA-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.99
LogP ≤ 59.96
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

2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)
CID 173211848
bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102
dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835
bis(2,6-dimethylphenolate);dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide)
CID 162202756
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342
1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
CID 172816212
CID 157447863
CID 157447863
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-1H-inden-1-ide)
CID 173126666
bis(5-tert-butyl-2-methyl-1H-inden-1-ide);zirconium(4+);dichloride
CID 157387836

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide?
The IUPAC name of 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide (CID 173211702) is 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide.
What is the SMILES notation for 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide?
The canonical SMILES for 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide is CC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.
What is the InChIKey of 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide?
The InChIKey is OLLMIQMONFZHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25.C10H9.C2H6Si.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;/h7-13H,1-6H3;2-7H,1H3;1-2H3;/q2*-1;;+2.
What are the key properties of 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide?
2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide has a molecular weight of 555.99 g/mol, XLogP of 9.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide is sourced from PubChem (CID 173211702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).