bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)

C46H78N3O3Si2Sm — CID 139099385

IUPACbis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)
SMILESCC(C)(C)c1cc(CN(Cc2ccccn2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CCOCC.C[Si](C)(C)[N-][Si](C)(C)C.[Sm+3]
InChIInChI=1S/C36H52N2O2.C6H18NSi2.C4H10O.Sm/c1-33(2,3)26-17-24(31(39)29(19-26)35(7,8)9)21-38(23-28-15-13-14-16-37-28)22-25-18-27(34(4,5)6)20-30(32(25)40)36(10,11)12;1-8(2,3)7-9(4,5)6;1-3-5-4-2;/h13-20,39-40H,21-23H2,1-12H3;1-6H3;3-4H2,1-2H3;/q;-1;;+3/p-2
InChIKeyIXLYJSQYHMVQOS-UHFFFAOYSA-L
MW927.68 g/mol
LogP11.69
Rot. Bonds10

About bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)

bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+) (PubChem CID 139099385) has the molecular formula C46H78N3O3Si2Sm and a molecular weight of 927.68 g/mol. Its IUPAC name is bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+).

Molecular Properties

Compound Namebis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)
PubChem CID139099385
Molecular FormulaC46H78N3O3Si2Sm
Molecular Weight927.68 g/mol
Exact Mass928.48
IUPAC Namebis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)
SMILESCC(C)(C)c1cc(CN(Cc2ccccn2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CCOCC.C[Si](C)(C)[N-][Si](C)(C)C.[Sm+3]
InChIInChI=1S/C36H52N2O2.C6H18NSi2.C4H10O.Sm/c1-33(2,3)26-17-24(31(39)29(19-26)35(7,8)9)21-38(23-28-15-13-14-16-37-28)22-25-18-27(34(4,5)6)20-30(32(25)40)36(10,11)12;1-8(2,3)7-9(4,5)6;1-3-5-4-2;/h13-20,39-40H,21-23H2,1-12H3;1-6H3;3-4H2,1-2H3;/q;-1;;+3/p-2
InChIKeyIXLYJSQYHMVQOS-UHFFFAOYSA-L
XLogP11.69
TPSA85.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.68
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+) with MolForge

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Related Compounds

N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 90894487
2-[[(3,5-Dimethyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenolate;bis(propan-2-olate);zirconium(4+)
CID 139039284
2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(propan-2-olate);zirconium(4+)
CID 139039285
2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;hafnium(4+);bis(propan-2-olate)
CID 139039286
[Ti{(2-C5H4N)CH2N{2-O-3,5-C6H3(t-Bu)2}2}(NMe2)2]
CID 139096121
Bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)
CID 139110103
Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-benzyl)amin-zink-acetat
CID 139133615
ZINC;2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate;2-(hydroxymethyl)phenolate;propan-2-one
CID 139133618
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate;cobalt(3+);(Z)-4-oxopent-2-en-2-olate;perchlorate
CID 139141417
2-[[Bis[(3,5-dimethyl-2-oxidophenyl)methyl]amino]methyl]-4,6-dimethylphenolate;cobalt(3+);2-pyridin-2-ylpyridine
CID 139142385
2-Tert-butyl-6-[[(3-tert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-))
CID 139161572
2-Tert-butyl-6-[[(3-tert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139161573

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)?
The IUPAC name of bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+) (CID 139099385) is bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+).
What is the SMILES notation for bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)?
The canonical SMILES for bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+) is CC(C)(C)c1cc(CN(Cc2ccccn2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CCOCC.C[Si](C)(C)[N-][Si](C)(C)C.[Sm+3].
What is the InChIKey of bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)?
The InChIKey is IXLYJSQYHMVQOS-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H52N2O2.C6H18NSi2.C4H10O.Sm/c1-33(2,3)26-17-24(31(39)29(19-26)35(7,8)9)21-38(23-28-15-13-14-16-37-28)22-25-18-27(34(4,5)6)20-30(32(25)40)36(10,11)12;1-8(2,3)7-9(4,5)6;1-3-5-4-2;/h13-20,39-40H,21-23H2,1-12H3;1-6H3;3-4H2,1-2H3;/q;-1;;+3/p-2.
What are the key properties of bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+)?
bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+) has a molecular weight of 927.68 g/mol, XLogP of 11.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;ethoxyethane;samarium(3+) is sourced from PubChem (CID 139099385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).