dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride

C29H28ClSiZr-3 — CID 175728811

IUPACdimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride
SMILESC[Si](C)=[Zr].[Cl-].c1ccc(-c2c3c(cc4[cH-]ccc24)CCC3)cc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C18H15.C9H7.C2H6Si.ClH.Zr/c1-2-6-13(7-3-1)18-16-10-4-8-14(16)12-15-9-5-11-17(15)18;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;/h1-4,6-8,10,12H,5,9,11H2;1-7H;1-2H3;1H;/q2*-1;;;/p-1
InChIKeyLXQSFRWMLDHOHE-UHFFFAOYSA-M
MW531.31 g/mol
LogP5.06
Rot. Bonds1

About dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride

dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride (PubChem CID 175728811) has the molecular formula C29H28ClSiZr-3 and a molecular weight of 531.31 g/mol. Its IUPAC name is dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride
PubChem CID175728811
Molecular FormulaC29H28ClSiZr-3
Molecular Weight531.31 g/mol
Exact Mass529.07
IUPAC Namedimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride
SMILESC[Si](C)=[Zr].[Cl-].c1ccc(-c2c3c(cc4[cH-]ccc24)CCC3)cc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C18H15.C9H7.C2H6Si.ClH.Zr/c1-2-6-13(7-3-1)18-16-10-4-8-14(16)12-15-9-5-11-17(15)18;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;/h1-4,6-8,10,12H,5,9,11H2;1-7H;1-2H3;1H;/q2*-1;;;/p-1
InChIKeyLXQSFRWMLDHOHE-UHFFFAOYSA-M
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.31
LogP ≤ 55.06
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

bis(8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide);zirconium(2+)
CID 175031068
CID 175762465
CID 175762465
dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)
CID 173275600
2-butylcyclopenta-1,3-diene;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;zirconium(2+)
CID 175031329
carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)
CID 173073512
CID 158229121
CID 158229121
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
dichlorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;6-methyl-8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide
CID 162767498
bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
CID 23514276
tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride
CID 22599312
bis(1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 23369269
CID 173283821
CID 173283821

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride?
The IUPAC name of dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride (CID 175728811) is dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride.
What is the SMILES notation for dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride?
The canonical SMILES for dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride is C[Si](C)=[Zr].[Cl-].c1ccc(-c2c3c(cc4[cH-]ccc24)CCC3)cc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride?
The InChIKey is LXQSFRWMLDHOHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15.C9H7.C2H6Si.ClH.Zr/c1-2-6-13(7-3-1)18-16-10-4-8-14(16)12-15-9-5-11-17(15)18;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;/h1-4,6-8,10,12H,5,9,11H2;1-7H;1-2H3;1H;/q2*-1;;;/p-1.
What are the key properties of dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride?
dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride has a molecular weight of 531.31 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium;1H-inden-1-ide;8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide;chloride is sourced from PubChem (CID 175728811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).