bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide

C30H58BN7Si2Tm-2 — CID 139116892

IUPACbis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide
SMILESC[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C(C)(C)C)nn1[BH-](n1nc(C(C)(C)C)cc1C)n1nc(C(C)(C)C)cc1C.[Tm]
InChIInChI=1S/C24H40BN6.C6H18NSi2.Tm/c1-16-13-19(22(4,5)6)26-29(16)25(30-17(2)14-20(27-30)23(7,8)9)31-18(3)15-21(28-31)24(10,11)12;1-8(2,3)7-9(4,5)6;/h13-15,25H,1-12H3;1-6H3;/q2*-1;
InChIKeyAFPKDBYLMAISOK-UHFFFAOYSA-N
MW752.76 g/mol
LogP7.79
Rot. Bonds5

About bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide

bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide (PubChem CID 139116892) has the molecular formula C30H58BN7Si2Tm-2 and a molecular weight of 752.76 g/mol. Its IUPAC name is bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide.

Molecular Properties

Compound Namebis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide
PubChem CID139116892
Molecular FormulaC30H58BN7Si2Tm-2
Molecular Weight752.76 g/mol
Exact Mass752.37
IUPAC Namebis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide
SMILESC[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C(C)(C)C)nn1[BH-](n1nc(C(C)(C)C)cc1C)n1nc(C(C)(C)C)cc1C.[Tm]
InChIInChI=1S/C24H40BN6.C6H18NSi2.Tm/c1-16-13-19(22(4,5)6)26-29(16)25(30-17(2)14-20(27-30)23(7,8)9)31-18(3)15-21(28-31)24(10,11)12;1-8(2,3)7-9(4,5)6;/h13-15,25H,1-12H3;1-6H3;/q2*-1;
InChIKeyAFPKDBYLMAISOK-UHFFFAOYSA-N
XLogP7.79
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.76
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 168344422
CID 168344422
CID 118855580
CID 118855580
CID 134902389
CID 134902389
CID 134902395
CID 134902395
CID 139106311
CID 139106311
CID 139114334
CID 139114334
CID 139114335
CID 139114335
CID 139126827
CID 139126827
CID 139126828
CID 139126828
CID 139126829
CID 139126829
CID 139128898
CID 139128898
CID 139171117
CID 139171117

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide?
The IUPAC name of bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide (CID 139116892) is bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide.
What is the SMILES notation for bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide?
The canonical SMILES for bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide is C[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C(C)(C)C)nn1[BH-](n1nc(C(C)(C)C)cc1C)n1nc(C(C)(C)C)cc1C.[Tm].
What is the InChIKey of bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide?
The InChIKey is AFPKDBYLMAISOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40BN6.C6H18NSi2.Tm/c1-16-13-19(22(4,5)6)26-29(16)25(30-17(2)14-20(27-30)23(7,8)9)31-18(3)15-21(28-31)24(10,11)12;1-8(2,3)7-9(4,5)6;/h13-15,25H,1-12H3;1-6H3;/q2*-1;.
What are the key properties of bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide?
bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide has a molecular weight of 752.76 g/mol, XLogP of 7.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl)azanide;thulium;tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide is sourced from PubChem (CID 139116892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).