bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)

C50H64HfSi — CID 150174113

IUPACbis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
SMILESC[Si](C)=[Hf+2].Cc1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2[cH-]1.Cc1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2[cH-]1
InChIInChI=1S/2C24H29.C2H6Si.Hf/c2*1-16-11-17-9-8-10-21(22(17)12-16)18-13-19(23(2,3)4)15-20(14-18)24(5,6)7;1-3-2;/h2*8-15H,1-7H3;1-2H3;/q2*-1;;+2
InChIKeyHPIFIKQYMWFMKE-UHFFFAOYSA-N
MW871.64 g/mol
LogP15.04
Rot. Bonds2

About bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)

bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) (PubChem CID 150174113) has the molecular formula C50H64HfSi and a molecular weight of 871.64 g/mol. Its IUPAC name is bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+).

Molecular Properties

Compound Namebis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
PubChem CID150174113
Molecular FormulaC50H64HfSi
Molecular Weight871.64 g/mol
Exact Mass872.42
IUPAC Namebis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
SMILESC[Si](C)=[Hf+2].Cc1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2[cH-]1.Cc1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2[cH-]1
InChIInChI=1S/2C24H29.C2H6Si.Hf/c2*1-16-11-17-9-8-10-21(22(17)12-16)18-13-19(23(2,3)4)15-20(14-18)24(5,6)7;1-3-2;/h2*8-15H,1-7H3;1-2H3;/q2*-1;;+2
InChIKeyHPIFIKQYMWFMKE-UHFFFAOYSA-N
XLogP15.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.64
LogP ≤ 515.04
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

4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
CID 154511524
4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 158605448
4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 87879324
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide
CID 22023088
4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 175331642
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
bis(4-(3,5-difluorophenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157120619
bis(4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide);dichloro(propan-2-ylidene)zirconium
CID 173212904
CID 87993698
CID 87993698
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-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595

Frequently Asked Questions

What is the IUPAC name of bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)?
The IUPAC name of bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) (CID 150174113) is bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+).
What is the SMILES notation for bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)?
The canonical SMILES for bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) is C[Si](C)=[Hf+2].Cc1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2[cH-]1.Cc1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2[cH-]1.
What is the InChIKey of bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)?
The InChIKey is HPIFIKQYMWFMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29.C2H6Si.Hf/c2*1-16-11-17-9-8-10-21(22(17)12-16)18-13-19(23(2,3)4)15-20(14-18)24(5,6)7;1-3-2;/h2*8-15H,1-7H3;1-2H3;/q2*-1;;+2.
What are the key properties of bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)?
bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) has a molecular weight of 871.64 g/mol, XLogP of 15.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+) is sourced from PubChem (CID 150174113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).