bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)

C35H65BN9Si2Y — CID 139137843

IUPACbis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)
SMILESC/C(=N\C1CCCCC1)[N-]C1CCCCC1.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[Y+3]
InChIInChI=1S/C15H22BN6.C14H25N2.C6H18NSi2.Y/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;1-8(2,3)7-9(4,5)6;/h7-9,16H,1-6H3;13-14H,2-11H2,1H3;1-6H3;/q3*-1;+3
InChIKeyYPGFUFQPPSTZEC-UHFFFAOYSA-N
MW767.86 g/mol
LogP9.26
Rot. Bonds7

About bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)

bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+) (PubChem CID 139137843) has the molecular formula C35H65BN9Si2Y and a molecular weight of 767.86 g/mol. Its IUPAC name is bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+).

Molecular Properties

Compound Namebis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)
PubChem CID139137843
Molecular FormulaC35H65BN9Si2Y
Molecular Weight767.86 g/mol
Exact Mass767.41
IUPAC Namebis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)
SMILESC/C(=N\C1CCCCC1)[N-]C1CCCCC1.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[Y+3]
InChIInChI=1S/C15H22BN6.C14H25N2.C6H18NSi2.Y/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;1-8(2,3)7-9(4,5)6;/h7-9,16H,1-6H3;13-14H,2-11H2,1H3;1-6H3;/q3*-1;+3
InChIKeyYPGFUFQPPSTZEC-UHFFFAOYSA-N
XLogP9.26
TPSA94.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.86
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)
CID 11170307
bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)
CID 139133852
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
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244063
dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene
CID 139088227
1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole
CID 170214162
tetrakis(bis(dimethylsilyl)azanide);bis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);oxolane;bis(yttrium(3+))
CID 139176139

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)?
The IUPAC name of bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+) (CID 139137843) is bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+).
What is the SMILES notation for bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)?
The canonical SMILES for bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+) is C/C(=N\C1CCCCC1)[N-]C1CCCCC1.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[Y+3].
What is the InChIKey of bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)?
The InChIKey is YPGFUFQPPSTZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BN6.C14H25N2.C6H18NSi2.Y/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;1-8(2,3)7-9(4,5)6;/h7-9,16H,1-6H3;13-14H,2-11H2,1H3;1-6H3;/q3*-1;+3.
What are the key properties of bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)?
bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+) has a molecular weight of 767.86 g/mol, XLogP of 9.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+) is sourced from PubChem (CID 139137843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).