tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride

C98H96Cl4Si3Zr3 — CID 172741772

IUPACtris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl.Cl.Cl.Cl
InChIInChI=1S/2C20H15.2C16H13.2C10H9.3C2H6Si.4ClH.3Zr/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-8-6-9-4-2-3-5-10(9)7-8;3*1-3-2;;;;;;;/h2*2-13H,1H3;2*2-11H,1H3;2*2-7H,1H3;3*1-2H3;4*1H;;;/q6*-1;;;;;;;;3*+2
InChIKeyILIDUXLSEFNSEV-UHFFFAOYSA-N
MW1773.59 g/mol
LogP30.22
Rot. Bonds4

About tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride

tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride (PubChem CID 172741772) has the molecular formula C98H96Cl4Si3Zr3 and a molecular weight of 1773.59 g/mol. Its IUPAC name is tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride.

Molecular Properties

Compound Nametris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
PubChem CID172741772
Molecular FormulaC98H96Cl4Si3Zr3
Molecular Weight1773.59 g/mol
Exact Mass1766.27
IUPAC Nametris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl.Cl.Cl.Cl
InChIInChI=1S/2C20H15.2C16H13.2C10H9.3C2H6Si.4ClH.3Zr/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-8-6-9-4-2-3-5-10(9)7-8;3*1-3-2;;;;;;;/h2*2-13H,1H3;2*2-11H,1H3;2*2-7H,1H3;3*1-2H3;4*1H;;;/q6*-1;;;;;;;;3*+2
InChIKeyILIDUXLSEFNSEV-UHFFFAOYSA-N
XLogP30.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001773.59
LogP ≤ 530.22
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 tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride with MolForge

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Related Compounds

dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
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CID 87993698
CID 87993698
dimagnesium;dimethyl-[(4-naphthalen-1-yl-1H-inden-1-id-2-yl)methylidene]silane;dimethyl-[(4-phenyl-1H-inden-1-id-2-yl)methylidene]silane;1-(2-methyl-1H-inden-1-id-4-yl)naphthalene;2-methyl-4-phenyl-1H-inden-1-ide
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tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
bis(4-(4-benzylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
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hafnium;2-methyl-4-phenyl-1H-inden-1-ide
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dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride
CID 87865717
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
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CID 173337857

Frequently Asked Questions

What is the IUPAC name of tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride?
The IUPAC name of tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride (CID 172741772) is tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride.
What is the SMILES notation for tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride?
The canonical SMILES for tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride is C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl.Cl.Cl.Cl.
What is the InChIKey of tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride?
The InChIKey is ILIDUXLSEFNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15.2C16H13.2C10H9.3C2H6Si.4ClH.3Zr/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-8-6-9-4-2-3-5-10(9)7-8;3*1-3-2;;;;;;;/h2*2-13H,1H3;2*2-11H,1H3;2*2-7H,1H3;3*1-2H3;4*1H;;;/q6*-1;;;;;;;;3*+2.
What are the key properties of tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride?
tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride has a molecular weight of 1773.59 g/mol, XLogP of 30.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride is sourced from PubChem (CID 172741772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).