dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)

C33H34Cl2GeZr-2 — CID 154419933

IUPACdichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)
SMILESC[Ge](c1ccccc1)=[Zr](Cl)Cl.Cc1cc(-c2ccccc2)c(C)[cH-]1.Cc1cc(-c2ccccc2)c(C)[cH-]1
InChIInChI=1S/2C13H13.C7H8Ge.2ClH.Zr/c2*1-10-8-11(2)13(9-10)12-6-4-3-5-7-12;1-8-7-5-3-2-4-6-7;;;/h2*3-9H,1-2H3;2-6H,1H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRONHAPKCBUMGTI-UHFFFAOYSA-L
MW665.38 g/mol
LogP9.82
Rot. Bonds3

About dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)

dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene) (PubChem CID 154419933) has the molecular formula C33H34Cl2GeZr-2 and a molecular weight of 665.38 g/mol. Its IUPAC name is dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene).

Molecular Properties

Compound Namedichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)
PubChem CID154419933
Molecular FormulaC33H34Cl2GeZr-2
Molecular Weight665.38 g/mol
Exact Mass664.03
IUPAC Namedichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)
SMILESC[Ge](c1ccccc1)=[Zr](Cl)Cl.Cc1cc(-c2ccccc2)c(C)[cH-]1.Cc1cc(-c2ccccc2)c(C)[cH-]1
InChIInChI=1S/2C13H13.C7H8Ge.2ClH.Zr/c2*1-10-8-11(2)13(9-10)12-6-4-3-5-7-12;1-8-7-5-3-2-4-6-7;;;/h2*3-9H,1-2H3;2-6H,1H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRONHAPKCBUMGTI-UHFFFAOYSA-L
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.38
LogP ≤ 59.82
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

dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 154075918
cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene
CID 154419852
1,9-dihydrofluoren-1-ide;(2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene;zirconium(4+);dichloride
CID 172785188
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
bis(2-tert-butyl-1,4-dimethylcyclopenta-1,3-diene);dichloro-[methyl(phenyl)silylidene]zirconium
CID 154441998
dichloro(propylidene)zirconium;bis(2-methyl-4-phenyl-1H-inden-1-ide)
CID 87925767
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173284099
CID 173284099
CID 87931857
CID 87931857
CID 87993698
CID 87993698
CID 87142215
CID 87142215

Frequently Asked Questions

What is the IUPAC name of dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)?
The IUPAC name of dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene) (CID 154419933) is dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene).
What is the SMILES notation for dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)?
The canonical SMILES for dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene) is C[Ge](c1ccccc1)=[Zr](Cl)Cl.Cc1cc(-c2ccccc2)c(C)[cH-]1.Cc1cc(-c2ccccc2)c(C)[cH-]1.
What is the InChIKey of dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)?
The InChIKey is RONHAPKCBUMGTI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H13.C7H8Ge.2ClH.Zr/c2*1-10-8-11(2)13(9-10)12-6-4-3-5-7-12;1-8-7-5-3-2-4-6-7;;;/h2*3-9H,1-2H3;2-6H,1H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene)?
dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene) has a molecular weight of 665.38 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[methyl(phenyl)germylidene]zirconium;bis((2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene) is sourced from PubChem (CID 154419933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).