tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)

C71H178N24Nb9Ta3-12 — CID 159721606

IUPACtris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)
SMILESCC(C)(C)N=[Nb].CC(C)(C)N=[Nb].CC(C)(C)N=[Nb].CC(C)N=[Nb].CC(C)N=[Nb].CCC(C)(C)N=[Nb].CCN=[Nb].CCN=[Nb].CCN=[Nb].CCN=[Ta].CCN=[Ta].CCN=[Ta].CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.C[N-]C.C[N-]C.C[N-]C.C[N-]C
InChIInChI=1S/C5H11N.3C4H9N.4C4H10N.4C3H8N.2C3H7N.4C2H6N.6C2H5N.9Nb.3Ta/c1-4-5(2,3)6;3*1-4(2,3)5;4*1-3-5-4-2;4*1-3-4-2;2*1-3(2)4;4*1-3-2;6*1-2-3;;;;;;;;;;;;/h4H2,1-3H3;3*1-3H3;4*3-4H2,1-2H3;4*3H2,1-2H3;2*3H,1-2H3;4*1-2H3;6*2H2,1H3;;;;;;;;;;;;/q;;;;8*-1;;;4*-1;;;;;;;;;;;;;;;;;;
InChIKeyXYQLCOWYWCYNNN-UHFFFAOYSA-N
MW2747.37 g/mol
LogP25.24
Rot. Bonds22

About tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)

tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium) (PubChem CID 159721606) has the molecular formula C71H178N24Nb9Ta3-12 and a molecular weight of 2747.37 g/mol. Its IUPAC name is tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium).

Molecular Properties

Compound Nametris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)
PubChem CID159721606
Molecular FormulaC71H178N24Nb9Ta3-12
Molecular Weight2747.37 g/mol
Exact Mass2746.47
IUPAC Nametris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)
SMILESCC(C)(C)N=[Nb].CC(C)(C)N=[Nb].CC(C)(C)N=[Nb].CC(C)N=[Nb].CC(C)N=[Nb].CCC(C)(C)N=[Nb].CCN=[Nb].CCN=[Nb].CCN=[Nb].CCN=[Ta].CCN=[Ta].CCN=[Ta].CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.C[N-]C.C[N-]C.C[N-]C.C[N-]C
InChIInChI=1S/C5H11N.3C4H9N.4C4H10N.4C3H8N.2C3H7N.4C2H6N.6C2H5N.9Nb.3Ta/c1-4-5(2,3)6;3*1-4(2,3)5;4*1-3-5-4-2;4*1-3-4-2;2*1-3(2)4;4*1-3-2;6*1-2-3;;;;;;;;;;;;/h4H2,1-3H3;3*1-3H3;4*3-4H2,1-2H3;4*3H2,1-2H3;2*3H,1-2H3;4*1-2H3;6*2H2,1H3;;;;;;;;;;;;/q;;;;8*-1;;;4*-1;;;;;;;;;;;;;;;;;;
InChIKeyXYQLCOWYWCYNNN-UHFFFAOYSA-N
XLogP25.24
TPSA317.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002747.37
LogP ≤ 525.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium) with MolForge

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Related Compounds

tris(diethylazanide);2-methylbutan-2-yliminoniobium
CID 175814454
diethylazanide;ethyliminotantalum
CID 58942953
2-methylbutan-2-yliminoniobium;propane
CID 155791399
bis(diethylazanide);bis(dimethylazanide);zirconium(4+)
CID 18432248
bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide
CID 140840015
bis(tert-butylimino)molybdenum(2+);ethyl(methyl)azanide;methyl(propan-2-yl)azanide
CID 140839998
tris(tert-butyl(2-tert-butylazanidylethenyl)azanide);tetrakis(diethylazanide);tetrakis(dimethylazanide);tetrakis(di(propan-2-yl)azanide);hexakis(propan-2-yliminotungsten);tris(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide)
CID 158448244
bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide
CID 140839947
ethyl(methyl)azanide;iodotitanium(1+)
CID 59502459
tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)
CID 87312949
butan-2-yliminoniobium
CID 87877810
tris(diethylazanide);di(propan-2-yl)azanide;tungsten
CID 87312600

Frequently Asked Questions

What is the IUPAC name of tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)?
The IUPAC name of tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium) (CID 159721606) is tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium).
What is the SMILES notation for tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)?
The canonical SMILES for tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium) is CC(C)(C)N=[Nb].CC(C)(C)N=[Nb].CC(C)(C)N=[Nb].CC(C)N=[Nb].CC(C)N=[Nb].CCC(C)(C)N=[Nb].CCN=[Nb].CCN=[Nb].CCN=[Nb].CCN=[Ta].CCN=[Ta].CCN=[Ta].CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.C[N-]C.C[N-]C.C[N-]C.C[N-]C.
What is the InChIKey of tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)?
The InChIKey is XYQLCOWYWCYNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.3C4H9N.4C4H10N.4C3H8N.2C3H7N.4C2H6N.6C2H5N.9Nb.3Ta/c1-4-5(2,3)6;3*1-4(2,3)5;4*1-3-5-4-2;4*1-3-4-2;2*1-3(2)4;4*1-3-2;6*1-2-3;;;;;;;;;;;;/h4H2,1-3H3;3*1-3H3;4*3-4H2,1-2H3;4*3H2,1-2H3;2*3H,1-2H3;4*1-2H3;6*2H2,1H3;;;;;;;;;;;;/q;;;;8*-1;;;4*-1;;;;;;;;;;;;;;;;;;.
What are the key properties of tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium)?
tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium) has a molecular weight of 2747.37 g/mol, XLogP of 25.24, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tert-butyliminoniobium);tetrakis(diethylazanide);tetrakis(dimethylazanide);ethyliminoniobium;ethyliminotantalum;ethyl(methyl)azanide;2-methylbutan-2-yliminoniobium;bis(propan-2-yliminoniobium) is sourced from PubChem (CID 159721606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).