cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride

C16H18Cl2GeZr-2 — CID 158276689

IUPACcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
SMILESC[Ge](C)=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.C2H6Ge.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h1-7H;1-5H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeySUYFRXYIXHIAHU-UHFFFAOYSA-L
MW445.06 g/mol
LogP-1.24
Rot. Bonds

About cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride

cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride (PubChem CID 158276689) has the molecular formula C16H18Cl2GeZr-2 and a molecular weight of 445.06 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
PubChem CID158276689
Molecular FormulaC16H18Cl2GeZr-2
Molecular Weight445.06 g/mol
Exact Mass443.91
IUPAC Namecyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
SMILESC[Ge](C)=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.C2H6Ge.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h1-7H;1-5H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeySUYFRXYIXHIAHU-UHFFFAOYSA-L
XLogP-1.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.06
LogP ≤ 5-1.24
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

cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
CID 141083945
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
cyclopenta-1,3-diene;4-hydroxybutan-2-ylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 157201954
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+)
CID 151618856
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride?
The IUPAC name of cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride (CID 158276689) is cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride?
The canonical SMILES for cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride is C[Ge](C)=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride?
The InChIKey is SUYFRXYIXHIAHU-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C5H5.C2H6Ge.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h1-7H;1-5H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride?
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride has a molecular weight of 445.06 g/mol, XLogP of -1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride is sourced from PubChem (CID 158276689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).