tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride

C90H86Cl6Si3Zr3 — CID 172797352

IUPACtris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2ccc3ccccc3c2[cH-]1.Cc1cc2ccc3ccccc3c2[cH-]1.Cl.Cl.Cl.Cl.Cl.Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1.c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1
InChIInChI=1S/2C19H13.2C14H11.2C9H7.3C2H6Si.6ClH.3Zr/c2*1-2-10-16-14(6-1)8-4-12-18(16)19-13-5-9-15-7-3-11-17(15)19;2*1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;2*1-2-5-9-7-3-6-8(9)4-1;3*1-3-2;;;;;;;;;/h2*1-13H;2*2-9H,1H3;2*1-7H;3*1-2H3;6*1H;;;/q6*-1;;;;;;;;;;3*+2
InChIKeyANXLXLNQJZEQJM-UHFFFAOYSA-N
MW1738.33 g/mol
LogP28.80
Rot. Bonds2

About tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride

tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride (PubChem CID 172797352) has the molecular formula C90H86Cl6Si3Zr3 and a molecular weight of 1738.33 g/mol. Its IUPAC name is tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride.

Molecular Properties

Compound Nametris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride
PubChem CID172797352
Molecular FormulaC90H86Cl6Si3Zr3
Molecular Weight1738.33 g/mol
Exact Mass1730.13
IUPAC Nametris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2ccc3ccccc3c2[cH-]1.Cc1cc2ccc3ccccc3c2[cH-]1.Cl.Cl.Cl.Cl.Cl.Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1.c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1
InChIInChI=1S/2C19H13.2C14H11.2C9H7.3C2H6Si.6ClH.3Zr/c2*1-2-10-16-14(6-1)8-4-12-18(16)19-13-5-9-15-7-3-11-17(15)19;2*1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;2*1-2-5-9-7-3-6-8(9)4-1;3*1-3-2;;;;;;;;;/h2*1-13H;2*2-9H,1H3;2*1-7H;3*1-2H3;6*1H;;;/q6*-1;;;;;;;;;;3*+2
InChIKeyANXLXLNQJZEQJM-UHFFFAOYSA-N
XLogP28.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001738.33
LogP ≤ 528.80
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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Frequently Asked Questions

What is the IUPAC name of tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride?
The IUPAC name of tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride (CID 172797352) is tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride.
What is the SMILES notation for tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride?
The canonical SMILES for tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride is C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2ccc3ccccc3c2[cH-]1.Cc1cc2ccc3ccccc3c2[cH-]1.Cl.Cl.Cl.Cl.Cl.Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1.c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1.
What is the InChIKey of tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride?
The InChIKey is ANXLXLNQJZEQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13.2C14H11.2C9H7.3C2H6Si.6ClH.3Zr/c2*1-2-10-16-14(6-1)8-4-12-18(16)19-13-5-9-15-7-3-11-17(15)19;2*1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;2*1-2-5-9-7-3-6-8(9)4-1;3*1-3-2;;;;;;;;;/h2*1-13H;2*2-9H,1H3;2*1-7H;3*1-2H3;6*1H;;;/q6*-1;;;;;;;;;;3*+2.
What are the key properties of tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride?
tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride has a molecular weight of 1738.33 g/mol, XLogP of 28.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride is sourced from PubChem (CID 172797352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).