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

C58H114N6O2Si4Zn2 — CID 139131793

IUPACdizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate)
SMILESCC(C)C[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CC(C)C[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/2C23H40N2O.2C6H18NSi2.2Zn/c2*1-16(2)11-19(15-25(9)10)24-14-17-12-18(22(3,4)5)13-20(21(17)26)23(6,7)8;2*1-8(2,3)7-9(4,5)6;;/h2*12-14,16,19,26H,11,15H2,1-10H3;2*1-6H3;;/q;;2*-1;2*+2/p-2/b2*24-14+;;;;/t2*19-;;;;/m00..../s1
InChIKeyKLFIIDLZEDOIRU-GKHGRZNHSA-L
MW1170.71 g/mol
LogP15.56
Rot. Bonds16

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

dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate) (PubChem CID 139131793) has the molecular formula C58H114N6O2Si4Zn2 and a molecular weight of 1170.71 g/mol. Its IUPAC name is dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate).

Molecular Properties

Compound Namedizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate)
PubChem CID139131793
Molecular FormulaC58H114N6O2Si4Zn2
Molecular Weight1170.71 g/mol
Exact Mass1166.67
IUPAC Namedizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate)
SMILESCC(C)C[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CC(C)C[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/2C23H40N2O.2C6H18NSi2.2Zn/c2*1-16(2)11-19(15-25(9)10)24-14-17-12-18(22(3,4)5)13-20(21(17)26)23(6,7)8;2*1-8(2,3)7-9(4,5)6;;/h2*12-14,16,19,26H,11,15H2,1-10H3;2*1-6H3;;/q;;2*-1;2*+2/p-2/b2*24-14+;;;;/t2*19-;;;;/m00..../s1
InChIKeyKLFIIDLZEDOIRU-GKHGRZNHSA-L
XLogP15.56
TPSA105.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.71
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate)?
The IUPAC name of dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate) (CID 139131793) is dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate).
What is the SMILES notation for dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate)?
The canonical SMILES for dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate) is CC(C)C[C@@H](CN(C)C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CC(C)C[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-methylpentan-2-yl]iminomethyl]phenolate)?
The InChIKey is KLFIIDLZEDOIRU-GKHGRZNHSA-L. The full InChI is InChI=1S/2C23H40N2O.2C6H18NSi2.2Zn/c2*1-16(2)11-19(15-25(9)10)24-14-17-12-18(22(3,4)5)13-20(21(17)26)23(6,7)8;2*1-8(2,3)7-9(4,5)6;;/h2*12-14,16,19,26H,11,15H2,1-10H3;2*1-6H3;;/q;;2*-1;2*+2/p-2/b2*24-14+;;;;/t2*19-;;;;/m00..../s1.
What are the key properties of dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate)?
dizinc;bis(bis(trimethylsilyl)azanide);bis(2,4-ditert-butyl-6-[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]iminomethyl]phenolate) has a molecular weight of 1170.71 g/mol, XLogP of 15.56, 16 rotatable bonds, 0 hydrogen bond donors, and 6 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-methylpentan-2-yl]iminomethyl]phenolate) is sourced from PubChem (CID 139131793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).