dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)

C36H34Cl2F2SiZr-2 — CID 87591020

IUPACdichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)
SMILESCCc1cc2c(-c3ccccc3)ccc(F)c2[cH-]1.CCc1cc2c(-c3ccccc3)ccc(F)c2[cH-]1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C17H14F.C2H6Si.2ClH.Zr/c2*1-2-12-10-15-14(13-6-4-3-5-7-13)8-9-17(18)16(15)11-12;1-3-2;;;/h2*3-11H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVPFLQHRSIAYXQH-UHFFFAOYSA-L
MW694.88 g/mol
LogP12.02
Rot. Bonds4

About dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)

dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide) (PubChem CID 87591020) has the molecular formula C36H34Cl2F2SiZr-2 and a molecular weight of 694.88 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)
PubChem CID87591020
Molecular FormulaC36H34Cl2F2SiZr-2
Molecular Weight694.88 g/mol
Exact Mass692.08
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)
SMILESCCc1cc2c(-c3ccccc3)ccc(F)c2[cH-]1.CCc1cc2c(-c3ccccc3)ccc(F)c2[cH-]1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C17H14F.C2H6Si.2ClH.Zr/c2*1-2-12-10-15-14(13-6-4-3-5-7-13)8-9-17(18)16(15)11-12;1-3-2;;;/h2*3-11H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVPFLQHRSIAYXQH-UHFFFAOYSA-L
XLogP12.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.88
LogP ≤ 512.02
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

dichloro(dimethylstannanylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216418
dichloro(ethylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216524
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
dimethylsilylidenezirconium(2+);bis(4,7-diphenyl-2-(2-phenylethyl)-1H-inden-1-ide);dichloride
CID 159723067
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
CID 173016339
CID 173016339
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657
CID 173313790
CID 173313790

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide) (CID 87591020) is dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide) is CCc1cc2c(-c3ccccc3)ccc(F)c2[cH-]1.CCc1cc2c(-c3ccccc3)ccc(F)c2[cH-]1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)?
The InChIKey is VPFLQHRSIAYXQH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H14F.C2H6Si.2ClH.Zr/c2*1-2-12-10-15-14(13-6-4-3-5-7-13)8-9-17(18)16(15)11-12;1-3-2;;;/h2*3-11H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide)?
dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide) has a molecular weight of 694.88 g/mol, XLogP of 12.02, 4 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-ethyl-7-fluoro-4-phenyl-1H-inden-1-ide) is sourced from PubChem (CID 87591020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).