bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)

C30H44B2N12Yb — CID 139133852

IUPACbis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)
SMILESCc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[Yb+2]
InChIInChI=1S/2C15H22BN6.Yb/c2*1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;/h2*7-9,16H,1-6H3;/q2*-1;+2
InChIKeyXBRACNXISWNBDI-UHFFFAOYSA-N
MW767.43 g/mol
LogP3.58
Rot. Bonds6

About bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)

bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+) (PubChem CID 139133852) has the molecular formula C30H44B2N12Yb and a molecular weight of 767.43 g/mol. Its IUPAC name is bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+).

Molecular Properties

Compound Namebis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)
PubChem CID139133852
Molecular FormulaC30H44B2N12Yb
Molecular Weight767.43 g/mol
Exact Mass768.34
IUPAC Namebis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)
SMILESCc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[Yb+2]
InChIInChI=1S/2C15H22BN6.Yb/c2*1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;/h2*7-9,16H,1-6H3;/q2*-1;+2
InChIKeyXBRACNXISWNBDI-UHFFFAOYSA-N
XLogP3.58
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

samarium;bis(tris(3,5-dimethylpyrazol-1-yl)boranuide)
CID 139133851
boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide
CID 139130888
tetrakis(iron(3+));tris(selenium(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;hexasulfide
CID 139121056
carbon monoxide;iodomethylidynemolybdenum(1+);tris(3,5-dimethylpyrazol-1-yl)boranuide
CID 134899130
carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide
CID 139138267
carbon monoxide;(3-hydroxy-3-phenylbutylidyne)tungsten(1+);tris(3,5-dimethylpyrazol-1-yl)boranuide
CID 134898488
1-(3,5-dimethylpyrazol-1-yl)ethanol
CID 70567807
bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)
CID 139137843
3,5-dimethylpyrazol-1-amine;europium
CID 159380818
bis(acetonitrile);iron(2+);(Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate;tris(3,5-dimethylpyrazol-1-yl)boranuide
CID 139136443
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-tert-butyl-3,5-dimethylpyrazole;methane
CID 159275422

Frequently Asked Questions

What is the IUPAC name of bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)?
The IUPAC name of bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+) (CID 139133852) is bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+).
What is the SMILES notation for bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)?
The canonical SMILES for bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+) is Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[Yb+2].
What is the InChIKey of bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)?
The InChIKey is XBRACNXISWNBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22BN6.Yb/c2*1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;/h2*7-9,16H,1-6H3;/q2*-1;+2.
What are the key properties of bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)?
bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+) has a molecular weight of 767.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+) is sourced from PubChem (CID 139133852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).