dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)

C42H30Cl2F18SiZr-2 — CID 154443014

IUPACdichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)
SMILESCCc1cc2c(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cccc2[cH-]1.CCc1cc2c(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cccc2[cH-]1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C20H12F9.C2H6Si.2ClH.Zr/c2*1-2-10-6-11-4-3-5-13(14(11)7-10)17-15(19(24,25)26)8-12(18(21,22)23)9-16(17)20(27,28)29;1-3-2;;;/h2*3-9H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHTWCMSHBJKZSDY-UHFFFAOYSA-L
MW1066.88 g/mol
LogP17.85
Rot. Bonds4

About dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)

dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide) (PubChem CID 154443014) has the molecular formula C42H30Cl2F18SiZr-2 and a molecular weight of 1066.88 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)
PubChem CID154443014
Molecular FormulaC42H30Cl2F18SiZr-2
Molecular Weight1066.88 g/mol
Exact Mass1064.03
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)
SMILESCCc1cc2c(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cccc2[cH-]1.CCc1cc2c(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cccc2[cH-]1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C20H12F9.C2H6Si.2ClH.Zr/c2*1-2-10-6-11-4-3-5-13(14(11)7-10)17-15(19(24,25)26)8-12(18(21,22)23)9-16(17)20(27,28)29;1-3-2;;;/h2*3-9H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHTWCMSHBJKZSDY-UHFFFAOYSA-L
XLogP17.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.88
LogP ≤ 517.85
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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Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide) (CID 154443014) is dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide) is CCc1cc2c(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cccc2[cH-]1.CCc1cc2c(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cccc2[cH-]1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The InChIKey is HTWCMSHBJKZSDY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H12F9.C2H6Si.2ClH.Zr/c2*1-2-10-6-11-4-3-5-13(14(11)7-10)17-15(19(24,25)26)8-12(18(21,22)23)9-16(17)20(27,28)29;1-3-2;;;/h2*3-9H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)?
dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide) has a molecular weight of 1066.88 g/mol, XLogP of 17.85, 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-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide) is sourced from PubChem (CID 154443014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).