hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))

C22H68N10Ta2 — CID 157335427

IUPAChexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))
SMILESCCC.CCC.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[NH-].C[NH-].C[NH-].C[NH-].[Ta+5].[Ta+5]
InChIInChI=1S/2C3H8.6C2H6N.4CH4N.2Ta/c8*1-3-2;4*1-2;;/h2*3H2,1-2H3;6*1-2H3;4*2H,1H3;;/q;;10*-1;2*+5
InChIKeyBFTZLKVUUBFLHL-UHFFFAOYSA-N
MW834.75 g/mol
LogP9.22
Rot. Bonds

About hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))

hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+)) (PubChem CID 157335427) has the molecular formula C22H68N10Ta2 and a molecular weight of 834.75 g/mol. Its IUPAC name is hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+)).

Molecular Properties

Compound Namehexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))
PubChem CID157335427
Molecular FormulaC22H68N10Ta2
Molecular Weight834.75 g/mol
Exact Mass834.46
IUPAC Namehexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))
SMILESCCC.CCC.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[NH-].C[NH-].C[NH-].C[NH-].[Ta+5].[Ta+5]
InChIInChI=1S/2C3H8.6C2H6N.4CH4N.2Ta/c8*1-3-2;4*1-2;;/h2*3H2,1-2H3;6*1-2H3;4*2H,1H3;;/q;;10*-1;2*+5
InChIKeyBFTZLKVUUBFLHL-UHFFFAOYSA-N
XLogP9.22
TPSA179.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.75
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))?
The IUPAC name of hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+)) (CID 157335427) is hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+)).
What is the SMILES notation for hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))?
The canonical SMILES for hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+)) is CCC.CCC.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[NH-].C[NH-].C[NH-].C[NH-].[Ta+5].[Ta+5].
What is the InChIKey of hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))?
The InChIKey is BFTZLKVUUBFLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.6C2H6N.4CH4N.2Ta/c8*1-3-2;4*1-2;;/h2*3H2,1-2H3;6*1-2H3;4*2H,1H3;;/q;;10*-1;2*+5.
What are the key properties of hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+))?
hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+)) has a molecular weight of 834.75 g/mol, XLogP of 9.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(dimethylazanide);methylazanide;propane;bis(tantalum(5+)) is sourced from PubChem (CID 157335427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).