dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide

C18H19Cl2SiZr- — CID 173167379

IUPACdichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc2c(-c3ccccc3)cccc2[cH-]1
InChIInChI=1S/C16H13.C2H6Si.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-3-2;;;/h2-11H,1H3;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyPVXFVBLPXRECSN-UHFFFAOYSA-L
MW425.57 g/mol
LogP6.70
Rot. Bonds1

About dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide

dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide (PubChem CID 173167379) has the molecular formula C18H19Cl2SiZr- and a molecular weight of 425.57 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide
PubChem CID173167379
Molecular FormulaC18H19Cl2SiZr-
Molecular Weight425.57 g/mol
Exact Mass422.97
IUPAC Namedichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc2c(-c3ccccc3)cccc2[cH-]1
InChIInChI=1S/C16H13.C2H6Si.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-3-2;;;/h2-11H,1H3;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyPVXFVBLPXRECSN-UHFFFAOYSA-L
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 56.70
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 dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylfluorene
CID 15604
9H-Fluorene, 1,8-dimethyl-
CID 4124506
Meso-ethylenebis(1-indenyl)zirconium(IV) dichloride
CID 16212518
Bis(indenyl)zirconium dichloride
CID 15789605
Ethylenebis(indenyl)zirconium dichloride
CID 15806102
4-Methyl-9H-fluorene
CID 15256
7-Methylfluoranthene
CID 146751
9-Methyl-9-(trimethylsilyl)fluorene
CID 3484382
Dichloro[(dimethylsilylene)bis(2-methyl-4-phenylindenyl)]zirconium(IV)
CID 18365609
Zirconium(4+) chloride 2-methyl-1H-inden-1-ide (1/2/2)
CID 22909881
rac-Methylene-bis(3-tert-butyl-1H-inden-1-yl)zirconium dichloride
CID 87929034
9-(3-Methylphenyl)-9H-fluorene
CID 28923

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide (CID 173167379) is dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide.
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide is C[Si](C)=[Zr](Cl)Cl.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide?
The InChIKey is PVXFVBLPXRECSN-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13.C2H6Si.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-3-2;;;/h2-11H,1H3;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide?
dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide has a molecular weight of 425.57 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide is sourced from PubChem (CID 173167379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).