[3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)

C62H102B2Co2N14Si2 — CID 139119548

IUPAC[3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)
SMILESC[Si](C)(C)[NH-].C[Si](C)(C)[NH-].Cc1cc(C(C)C)nn1[BH-](n1nc(C(C)C)cc1C)n1nc(C(C)(C)C(C)(C)c2cc(C)n([BH-](n3nc(C(C)C)cc3C)n3nc(C(C)C)cc3C)n2)cc1C.Cc1ccccc1.Cc1ccccc1.[Co+2].[Co+2]
InChIInChI=1S/C42H66B2N12.2C7H8.2C3H10NSi.2Co/c1-25(2)35-19-29(9)51(45-35)43(52-30(10)20-36(46-52)26(3)4)55-33(13)23-39(49-55)41(15,16)42(17,18)40-24-34(14)56(50-40)44(53-31(11)21-37(47-53)27(5)6)54-32(12)22-38(48-54)28(7)8;2*1-7-5-3-2-4-6-7;2*1-5(2,3)4;;/h19-28,43-44H,1-18H3;2*2-6H,1H3;2*4H,1-3H3;;/q-2;;;2*-1;2*+2
InChIKeyXZXIWNZUKLOXRI-UHFFFAOYSA-N
MW1239.26 g/mol
LogP15.52
Rot. Bonds13

About [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)

[3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide) (PubChem CID 139119548) has the molecular formula C62H102B2Co2N14Si2 and a molecular weight of 1239.26 g/mol. Its IUPAC name is [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide).

Molecular Properties

Compound Name[3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)
PubChem CID139119548
Molecular FormulaC62H102B2Co2N14Si2
Molecular Weight1239.26 g/mol
Exact Mass1238.68
IUPAC Name[3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)
SMILESC[Si](C)(C)[NH-].C[Si](C)(C)[NH-].Cc1cc(C(C)C)nn1[BH-](n1nc(C(C)C)cc1C)n1nc(C(C)(C)C(C)(C)c2cc(C)n([BH-](n3nc(C(C)C)cc3C)n3nc(C(C)C)cc3C)n2)cc1C.Cc1ccccc1.Cc1ccccc1.[Co+2].[Co+2]
InChIInChI=1S/C42H66B2N12.2C7H8.2C3H10NSi.2Co/c1-25(2)35-19-29(9)51(45-35)43(52-30(10)20-36(46-52)26(3)4)55-33(13)23-39(49-55)41(15,16)42(17,18)40-24-34(14)56(50-40)44(53-31(11)21-37(47-53)27(5)6)54-32(12)22-38(48-54)28(7)8;2*1-7-5-3-2-4-6-7;2*1-5(2,3)4;;/h19-28,43-44H,1-18H3;2*2-6H,1H3;2*4H,1-3H3;;/q-2;;;2*-1;2*+2
InChIKeyXZXIWNZUKLOXRI-UHFFFAOYSA-N
XLogP15.52
TPSA154.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.26
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide) with MolForge

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Related Compounds

Chloroform;cobalt(2+);bis(tris(4-benzyl-3,5-dimethylpyrazol-1-yl)boranuide)
CID 139044872
Benzene;bis(cobalt(2+));bis(tris(3-tert-butyl-5-methylpyrazol-1-yl)boranuide);carbonate
CID 139119592
(mu~2~-Oxo)-bis{hydroxy[tris(3,5-dimethylpyrazol-1-yl)borato]nitrosylmolyb denum) toluene solvate
CID 139132378
4-Tert-butylbenzeneselenolate;samarium(3+);bis(tris(3,5-dimethylpyrazol-1-yl)boranuide)
CID 139134119
Bis[Hydro-tris(3-cumyl-5-methyl-pyrazol-1-yl)-borato-zink]-sulfid
CID 139135233
Tris(bis(3,5-dimethylpyrazol-1-yl)boranuide);toluene;yttrium(3+)
CID 139136077
Nickel(2+);bis(tris(5-methyl-3-phenylpyrazol-1-yl)boranuide)
CID 139137458
Iron(2+);bis(tris(3,5-diphenylpyrazol-1-yl)boranuide)
CID 139137800
Iron(2+);bis(tris(5-methyl-3-phenylpyrazol-1-yl)boranuide)
CID 139138077
Benzene;thulium(3+);bis(tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);iodide
CID 139142396
Bis(bis(3-phenylpyrazol-1-yl)boranuide);bis(cobalt(2+));bis(tris(3-benzhydrylpyrazol-1-yl)boranuide)
CID 139155479
Cobalt(2+);tri(pyrazol-1-yl)boranuide;tris(3-benzhydrylpyrazol-1-yl)boranuide
CID 139155480

Frequently Asked Questions

What is the IUPAC name of [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)?
The IUPAC name of [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide) (CID 139119548) is [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide).
What is the SMILES notation for [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)?
The canonical SMILES for [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide) is C[Si](C)(C)[NH-].C[Si](C)(C)[NH-].Cc1cc(C(C)C)nn1[BH-](n1nc(C(C)C)cc1C)n1nc(C(C)(C)C(C)(C)c2cc(C)n([BH-](n3nc(C(C)C)cc3C)n3nc(C(C)C)cc3C)n2)cc1C.Cc1ccccc1.Cc1ccccc1.[Co+2].[Co+2].
What is the InChIKey of [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)?
The InChIKey is XZXIWNZUKLOXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H66B2N12.2C7H8.2C3H10NSi.2Co/c1-25(2)35-19-29(9)51(45-35)43(52-30(10)20-36(46-52)26(3)4)55-33(13)23-39(49-55)41(15,16)42(17,18)40-24-34(14)56(50-40)44(53-31(11)21-37(47-53)27(5)6)54-32(12)22-38(48-54)28(7)8;2*1-7-5-3-2-4-6-7;2*1-5(2,3)4;;/h19-28,43-44H,1-18H3;2*2-6H,1H3;2*4H,1-3H3;;/q-2;;;2*-1;2*+2.
What are the key properties of [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide)?
[3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide) has a molecular weight of 1239.26 g/mol, XLogP of 15.52, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[1-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuidyl-5-methylpyrazol-3-yl]-2,3-dimethylbutan-2-yl]-5-methylpyrazol-1-yl]-bis(5-methyl-3-propan-2-ylpyrazol-1-yl)boranuide;bis(cobalt(2+));toluene;bis(trimethylsilylazanide) is sourced from PubChem (CID 139119548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).