dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)

C40H38Cl2F6GeZr-2 — CID 173304835

IUPACdichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)
SMILESCCCc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.CCCc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.C[Ge](C)=[Zr](Cl)Cl
InChIInChI=1S/2C19H16F3.C2H6Ge.2ClH.Zr/c2*1-2-4-13-11-15-5-3-6-17(18(15)12-13)14-7-9-16(10-8-14)19(20,21)22;1-3-2;;;/h2*3,5-12H,2,4H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPKMOBOONKFWSHZ-UHFFFAOYSA-L
MW867.47 g/mol
LogP14.56
Rot. Bonds6

About dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)

dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) (PubChem CID 173304835) has the molecular formula C40H38Cl2F6GeZr-2 and a molecular weight of 867.47 g/mol. Its IUPAC name is dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)
PubChem CID173304835
Molecular FormulaC40H38Cl2F6GeZr-2
Molecular Weight867.47 g/mol
Exact Mass866.05
IUPAC Namedichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)
SMILESCCCc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.CCCc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.C[Ge](C)=[Zr](Cl)Cl
InChIInChI=1S/2C19H16F3.C2H6Ge.2ClH.Zr/c2*1-2-4-13-11-15-5-3-6-17(18(15)12-13)14-7-9-16(10-8-14)19(20,21)22;1-3-2;;;/h2*3,5-12H,2,4H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPKMOBOONKFWSHZ-UHFFFAOYSA-L
XLogP14.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.47
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

CID 173072823
CID 173072823
hafnium(4+);bis(4-(4-methylphenyl)-2-propyl-1H-inden-1-ide);propane;dihydrochloride
CID 87960910
CID 87398746
CID 87398746
CID 87508406
CID 87508406
bis(4-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1H-inden-1-ide);zirconium(4+);dichloride
CID 87917419
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
CID 152758320
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 87879331
CID 22508000
CID 22508000
bis(4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 158666164
dichlorozirconium(2+);bis(2-hexyl-4-(4-methylphenyl)-1H-inden-1-ide)
CID 174443615
bis(2-butyl-4-(4-propylphenyl)-1H-inden-1-ide);ethane-1,2-diol;zirconium(2+)
CID 87965673
dichloro(dimethylsilylidene)zirconium;bis(2-ethyl-4-[2,4,6-tris(trifluoromethyl)phenyl]-1H-inden-1-ide)
CID 154443014

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) (CID 173304835) is dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) is CCCc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.CCCc1cc2c(-c3ccc(C(F)(F)F)cc3)cccc2[cH-]1.C[Ge](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)?
The InChIKey is PKMOBOONKFWSHZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H16F3.C2H6Ge.2ClH.Zr/c2*1-2-4-13-11-15-5-3-6-17(18(15)12-13)14-7-9-16(10-8-14)19(20,21)22;1-3-2;;;/h2*3,5-12H,2,4H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide)?
dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) has a molecular weight of 867.47 g/mol, XLogP of 14.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylgermylidene)zirconium;bis(2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide) is sourced from PubChem (CID 173304835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).