azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride

C17H28Cl2GeNZr-3 — CID 157409765

IUPACazanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride
SMILESC[GeH2]C.Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[NH2-].[Zr+2].[c-]1ccccc1
InChIInChI=1S/C9H13.C6H5.C2H8Ge.2ClH.H2N.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-6-5-3-1;1-3-2;;;;/h5H,1-4H3;1-5H;3H2,1-2H3;2*1H;1H2;/q2*-1;;;;-1;+2/p-2
InChIKeyKVGLRLCHHWUEJW-UHFFFAOYSA-L
MW481.16 g/mol
LogP-0.90
Rot. Bonds

About azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride

azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride (PubChem CID 157409765) has the molecular formula C17H28Cl2GeNZr-3 and a molecular weight of 481.16 g/mol. Its IUPAC name is azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride.

Molecular Properties

Compound Nameazanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride
PubChem CID157409765
Molecular FormulaC17H28Cl2GeNZr-3
Molecular Weight481.16 g/mol
Exact Mass479.99
IUPAC Nameazanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride
SMILESC[GeH2]C.Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[NH2-].[Zr+2].[c-]1ccccc1
InChIInChI=1S/C9H13.C6H5.C2H8Ge.2ClH.H2N.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-6-5-3-1;1-3-2;;;;/h5H,1-4H3;1-5H;3H2,1-2H3;2*1H;1H2;/q2*-1;;;;-1;+2/p-2
InChIKeyKVGLRLCHHWUEJW-UHFFFAOYSA-L
XLogP-0.90
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.16
LogP ≤ 5-0.90
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

carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87907692
sodium 1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 86585831
dimethylsilane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(3+);dichloride
CID 158418409
azanide;benzene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+);dihydrochloride
CID 172703330
propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
CID 159530182
dichlorozirconium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 12977416
azanide;benzene;zirconium(2+)
CID 154192731
CID 173055569
CID 173055569
2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)
CID 175970554
5-butylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 159101421
hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 154431533
CID 173020150
CID 173020150

Frequently Asked Questions

What is the IUPAC name of azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The IUPAC name of azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride (CID 157409765) is azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride.
What is the SMILES notation for azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The canonical SMILES for azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride is C[GeH2]C.Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[NH2-].[Zr+2].[c-]1ccccc1.
What is the InChIKey of azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The InChIKey is KVGLRLCHHWUEJW-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C6H5.C2H8Ge.2ClH.H2N.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-6-5-3-1;1-3-2;;;;/h5H,1-4H3;1-5H;3H2,1-2H3;2*1H;1H2;/q2*-1;;;;-1;+2/p-2.
What are the key properties of azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride?
azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride has a molecular weight of 481.16 g/mol, XLogP of -0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride is sourced from PubChem (CID 157409765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).