pentadecakis(diethylazanide);tris(niobium(5+))

C60H150N15Nb3 — CID 139131971

IUPACpentadecakis(diethylazanide);tris(niobium(5+))
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/15C4H10N.3Nb/c15*1-3-5-4-2;;;/h15*3-4H2,1-2H3;;;/q15*-1;3*+5
InChIKeyUNJMGSMKMMUXHR-UHFFFAOYSA-N
MW1360.68 g/mol
LogP20.99
Rot. Bonds30

About pentadecakis(diethylazanide);tris(niobium(5+))

pentadecakis(diethylazanide);tris(niobium(5+)) (PubChem CID 139131971) has the molecular formula C60H150N15Nb3 and a molecular weight of 1360.68 g/mol. Its IUPAC name is pentadecakis(diethylazanide);tris(niobium(5+)).

Molecular Properties

Compound Namepentadecakis(diethylazanide);tris(niobium(5+))
PubChem CID139131971
Molecular FormulaC60H150N15Nb3
Molecular Weight1360.68 g/mol
Exact Mass1359.94
IUPAC Namepentadecakis(diethylazanide);tris(niobium(5+))
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/15C4H10N.3Nb/c15*1-3-5-4-2;;;/h15*3-4H2,1-2H3;;;/q15*-1;3*+5
InChIKeyUNJMGSMKMMUXHR-UHFFFAOYSA-N
XLogP20.99
TPSA211.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001360.68
LogP ≤ 520.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentadecakis(diethylazanide);tris(niobium(5+))?
The IUPAC name of pentadecakis(diethylazanide);tris(niobium(5+)) (CID 139131971) is pentadecakis(diethylazanide);tris(niobium(5+)).
What is the SMILES notation for pentadecakis(diethylazanide);tris(niobium(5+))?
The canonical SMILES for pentadecakis(diethylazanide);tris(niobium(5+)) is CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Nb+5].[Nb+5].[Nb+5].
What is the InChIKey of pentadecakis(diethylazanide);tris(niobium(5+))?
The InChIKey is UNJMGSMKMMUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/15C4H10N.3Nb/c15*1-3-5-4-2;;;/h15*3-4H2,1-2H3;;;/q15*-1;3*+5.
What are the key properties of pentadecakis(diethylazanide);tris(niobium(5+))?
pentadecakis(diethylazanide);tris(niobium(5+)) has a molecular weight of 1360.68 g/mol, XLogP of 20.99, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecakis(diethylazanide);tris(niobium(5+)) is sourced from PubChem (CID 139131971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).