2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)

C44H46SiZr — CID 173211848

IUPAC2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)
SMILESCC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.C[Si](=[Zr+2])c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1
InChIInChI=1S/C21H25.C16H13.C7H8Si.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;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-7-5-3-2-4-6-7;/h7-13H,1-6H3;2-11H,1H3;2-6H,1H3;/q2*-1;;+2
InChIKeyMUBKLBTYMDJIGY-UHFFFAOYSA-N
MW694.16 g/mol
LogP11.90
Rot. Bonds2

About 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)

2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+) (PubChem CID 173211848) has the molecular formula C44H46SiZr and a molecular weight of 694.16 g/mol. Its IUPAC name is 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+).

Molecular Properties

Compound Name2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)
PubChem CID173211848
Molecular FormulaC44H46SiZr
Molecular Weight694.16 g/mol
Exact Mass692.24
IUPAC Name2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)
SMILESCC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.C[Si](=[Zr+2])c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1
InChIInChI=1S/C21H25.C16H13.C7H8Si.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;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-7-5-3-2-4-6-7;/h7-13H,1-6H3;2-11H,1H3;2-6H,1H3;/q2*-1;;+2
InChIKeyMUBKLBTYMDJIGY-UHFFFAOYSA-N
XLogP11.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.16
LogP ≤ 511.90
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'}

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Related Compounds

tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
CID 87993698
CID 87993698
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide
CID 173211702
4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 87879324
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173284099
CID 173284099
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
CID 173168918
CID 173168918

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)?
The IUPAC name of 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+) (CID 173211848) is 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+).
What is the SMILES notation for 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)?
The canonical SMILES for 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+) is CC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.C[Si](=[Zr+2])c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.
What is the InChIKey of 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)?
The InChIKey is MUBKLBTYMDJIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25.C16H13.C7H8Si.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;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-7-5-3-2-4-6-7;/h7-13H,1-6H3;2-11H,1H3;2-6H,1H3;/q2*-1;;+2.
What are the key properties of 2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)?
2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+) has a molecular weight of 694.16 g/mol, XLogP of 11.90, 2 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;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+) is sourced from PubChem (CID 173211848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).