dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)

C66H134N6O2S2Si4Zn2 — CID 139131794

IUPACdizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)
SMILESCCCCC.CCCCC.CSCC[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CSCC[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Zn+2].[Zn+2]
InChIInChI=1S/2C22H38N2OS.2C6H18NSi2.2C5H12.2Zn/c2*1-21(2,3)17-12-16(20(25)19(13-17)22(4,5)6)14-23-18(10-11-26-9)15-24(7)8;2*1-8(2,3)7-9(4,5)6;2*1-3-5-4-2;;/h2*12-14,18,25H,10-11,15H2,1-9H3;2*1-6H3;2*3-5H2,1-2H3;;/q;;2*-1;;;2*+2/p-2/b2*23-14+;;;;;;/t2*18-;;;;;;/m00....../s1
InChIKeyUCDAFEWXADVYKZ-WAQSHLDNSA-L
MW1351.10 g/mol
LogP19.36
Rot. Bonds22

About dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)

dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane) (PubChem CID 139131794) has the molecular formula C66H134N6O2S2Si4Zn2 and a molecular weight of 1351.10 g/mol. Its IUPAC name is dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane).

Molecular Properties

Compound Namedizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)
PubChem CID139131794
Molecular FormulaC66H134N6O2S2Si4Zn2
Molecular Weight1351.10 g/mol
Exact Mass1346.77
IUPAC Namedizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)
SMILESCCCCC.CCCCC.CSCC[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CSCC[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Zn+2].[Zn+2]
InChIInChI=1S/2C22H38N2OS.2C6H18NSi2.2C5H12.2Zn/c2*1-21(2,3)17-12-16(20(25)19(13-17)22(4,5)6)14-23-18(10-11-26-9)15-24(7)8;2*1-8(2,3)7-9(4,5)6;2*1-3-5-4-2;;/h2*12-14,18,25H,10-11,15H2,1-9H3;2*1-6H3;2*3-5H2,1-2H3;;/q;;2*-1;;;2*+2/p-2/b2*23-14+;;;;;;/t2*18-;;;;;;/m00....../s1
InChIKeyUCDAFEWXADVYKZ-WAQSHLDNSA-L
XLogP19.36
TPSA105.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.10
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane) with MolForge

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Related Compounds

dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate)
CID 139131793
bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)
CID 139135535
cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 25209236
dicopper;bis(2-(benzhydryliminomethyl)-4,6-ditert-butylphenolate);bis(2-(dimethylamino)ethanolate)
CID 139173115
calcium;2,4-ditert-butyl-6-[2-(dimethylamino)ethyliminomethyl]phenolate;oxolane;chloride
CID 139038564
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-oxidophenyl)azanidylphenolate;bis(2-methylpropan-2-olate);pentane;tantalum(5+)
CID 139136229
bis(2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylsulfanyl]ethylsulfanylmethyl]phenolate);hexane;tetrakis(2-methylpropan-2-olate);bis(zirconium(4+))
CID 139141575
bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide
CID 139150847
3-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-53,57,61,64-tetrahexyl-49-hydroxy-5,16,20,31,35,46-hexaoxa-7,14,22,29,37,44-hexazatetradecacyclo[48.13.1.04,62.06,15.08,13.017,60.019,58.021,30.023,28.032,56.034,54.036,45.038,43.047,52]tetrahexaconta-1(63),2,4(62),6,8,10,12,14,17(60),18,21,23,25,27,29,32(56),33,36,38,40,42,44,47(52),48,50,54,58-heptacosaen-2-olate;bis(oxygen(2-));uranium
CID 56642049
bis(chlorocobalt(2+));3-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]-1-[3-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate
CID 46201392
zinc 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate
CID 24938861
2-tert-butyl-6-[[(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-methylsulfanylbutyl]iminomethyl]phenol
CID 135507674

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)?
The IUPAC name of dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane) (CID 139131794) is dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane).
What is the SMILES notation for dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)?
The canonical SMILES for dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane) is CCCCC.CCCCC.CSCC[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CSCC[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)?
The InChIKey is UCDAFEWXADVYKZ-WAQSHLDNSA-L. The full InChI is InChI=1S/2C22H38N2OS.2C6H18NSi2.2C5H12.2Zn/c2*1-21(2,3)17-12-16(20(25)19(13-17)22(4,5)6)14-23-18(10-11-26-9)15-24(7)8;2*1-8(2,3)7-9(4,5)6;2*1-3-5-4-2;;/h2*12-14,18,25H,10-11,15H2,1-9H3;2*1-6H3;2*3-5H2,1-2H3;;/q;;2*-1;;;2*+2/p-2/b2*23-14+;;;;;;/t2*18-;;;;;;/m00....../s1.
What are the key properties of dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane)?
dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane) has a molecular weight of 1351.10 g/mol, XLogP of 19.36, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylsulfanylbutan-2-yl]iminomethyl]phenolate);bis(pentane) is sourced from PubChem (CID 139131794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).