dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)

C36H36Cl2SiZr-2 — CID 154439448

IUPACdichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc2c(-c3ccccc3)c(C)ccc2[cH-]1.Cc1cc2c(-c3ccccc3)c(C)ccc2[cH-]1
InChIInChI=1S/2C17H15.C2H6Si.2ClH.Zr/c2*1-12-10-15-9-8-13(2)17(16(15)11-12)14-6-4-3-5-7-14;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFAMBAUIQWZVSEM-UHFFFAOYSA-L
MW658.90 g/mol
LogP11.85
Rot. Bonds2

About dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)

dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide) (PubChem CID 154439448) has the molecular formula C36H36Cl2SiZr-2 and a molecular weight of 658.90 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)
PubChem CID154439448
Molecular FormulaC36H36Cl2SiZr-2
Molecular Weight658.90 g/mol
Exact Mass656.10
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc2c(-c3ccccc3)c(C)ccc2[cH-]1.Cc1cc2c(-c3ccccc3)c(C)ccc2[cH-]1
InChIInChI=1S/2C17H15.C2H6Si.2ClH.Zr/c2*1-12-10-15-9-8-13(2)17(16(15)11-12)14-6-4-3-5-7-14;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFAMBAUIQWZVSEM-UHFFFAOYSA-L
XLogP11.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.90
LogP ≤ 511.85
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

CID 87703114
CID 87703114
CID 87846971
CID 87846971
CID 173172607
CID 173172607
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
CID 87410533
dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 154075918
4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 173229855
bis([3-[2-(2-benzofuran-1-yl)-5-methyl-1H-inden-1-id-4-yl]-5-trimethylsilylphenyl]-trimethylsilane);dichloro(dimethylsilylidene)zirconium
CID 87358228
dichloro(dimethylsilylidene)zirconium;bis(5-[4-(3-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)
CID 87357882
cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene
CID 154419852
2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium
CID 160925897
dichloro(dimethylsilylidene)zirconium;bis(2-(5-ethyl-6-methyl-4-phenyl-1H-inden-1-id-2-yl)-5-methylfuran)
CID 154439982
bis(2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan);zirconium(4+);dichloride
CID 175871744

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide) (CID 154439448) is dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide) is C[Si](C)=[Zr](Cl)Cl.Cc1cc2c(-c3ccccc3)c(C)ccc2[cH-]1.Cc1cc2c(-c3ccccc3)c(C)ccc2[cH-]1.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)?
The InChIKey is FAMBAUIQWZVSEM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H15.C2H6Si.2ClH.Zr/c2*1-12-10-15-9-8-13(2)17(16(15)11-12)14-6-4-3-5-7-14;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)?
dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide) has a molecular weight of 658.90 g/mol, XLogP of 11.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide) is sourced from PubChem (CID 154439448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).