tris(dimethylazanide);1H-inden-1-ide;zirconium(4+)

C15H25N3Zr — CID 15902074

IUPACtris(dimethylazanide);1H-inden-1-ide;zirconium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.3C2H6N.Zr/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-2;/h1-7H;3*1-2H3;/q4*-1;+4
InChIKeyXQUUQSNWURSZJN-UHFFFAOYSA-N
MW338.61 g/mol
LogP4.42
Rot. Bonds

About tris(dimethylazanide);1H-inden-1-ide;zirconium(4+)

tris(dimethylazanide);1H-inden-1-ide;zirconium(4+) (PubChem CID 15902074) has the molecular formula C15H25N3Zr and a molecular weight of 338.61 g/mol. Its IUPAC name is tris(dimethylazanide);1H-inden-1-ide;zirconium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);1H-inden-1-ide;zirconium(4+)
PubChem CID15902074
Molecular FormulaC15H25N3Zr
Molecular Weight338.61 g/mol
Exact Mass337.11
IUPAC Nametris(dimethylazanide);1H-inden-1-ide;zirconium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.3C2H6N.Zr/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-2;/h1-7H;3*1-2H3;/q4*-1;+4
InChIKeyXQUUQSNWURSZJN-UHFFFAOYSA-N
XLogP4.42
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.61
LogP ≤ 54.42
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

Indenylzirconium trichloride
CID 71421360
Lithium, 1H-inden-1-yl-
CID 11116044
sodium;1H-inden-1-ide
CID 11029903
Potassium, 1H-inden-1-yl-
CID 11275130
3-Methylindenyllithium
CID 12810117
Indenyl iron
CID 57418589
Indenylmanganese
CID 129667380
Indenyliridium(i)
CID 129672107
Indenyl rhodium
CID 129676758
Indenyl ruthenium
CID 129712944
1h-Inden-1-ylgold(i)
CID 140981985
Stannane, (2,3-dihydro-1H-inden-1-yl)trimethyl-
CID 142526

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);1H-inden-1-ide;zirconium(4+)?
The IUPAC name of tris(dimethylazanide);1H-inden-1-ide;zirconium(4+) (CID 15902074) is tris(dimethylazanide);1H-inden-1-ide;zirconium(4+).
What is the SMILES notation for tris(dimethylazanide);1H-inden-1-ide;zirconium(4+)?
The canonical SMILES for tris(dimethylazanide);1H-inden-1-ide;zirconium(4+) is C[N-]C.C[N-]C.C[N-]C.[Zr+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of tris(dimethylazanide);1H-inden-1-ide;zirconium(4+)?
The InChIKey is XQUUQSNWURSZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.3C2H6N.Zr/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-2;/h1-7H;3*1-2H3;/q4*-1;+4.
What are the key properties of tris(dimethylazanide);1H-inden-1-ide;zirconium(4+)?
tris(dimethylazanide);1H-inden-1-ide;zirconium(4+) has a molecular weight of 338.61 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);1H-inden-1-ide;zirconium(4+) is sourced from PubChem (CID 15902074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).