tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))

C40H88N12Si4Zr2 — CID 139132885

IUPACtetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))
SMILESC[N-]C.C[N-]C.C[N-]C.C[N-]C.C[Si](C)(C)[N-]CCN(CC[N-][Si](C)(C)C)Cc1ccccn1.C[Si](C)(C)[N-]CCN(CC[N-][Si](C)(C)C)Cc1ccccn1.[Zr+4].[Zr+4]
InChIInChI=1S/2C16H32N4Si2.4C2H6N.2Zr/c2*1-21(2,3)18-11-13-20(14-12-19-22(4,5)6)15-16-9-7-8-10-17-16;4*1-3-2;;/h2*7-10H,11-15H2,1-6H3;4*1-2H3;;/q2*-2;4*-1;2*+4
InChIKeyGIMWKNCETKNALY-UHFFFAOYSA-N
MW1032.02 g/mol
LogP11.08
Rot. Bonds20

About tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))

tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+)) (PubChem CID 139132885) has the molecular formula C40H88N12Si4Zr2 and a molecular weight of 1032.02 g/mol. Its IUPAC name is tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+)).

Molecular Properties

Compound Nametetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))
PubChem CID139132885
Molecular FormulaC40H88N12Si4Zr2
Molecular Weight1032.02 g/mol
Exact Mass1028.44
IUPAC Nametetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))
SMILESC[N-]C.C[N-]C.C[N-]C.C[N-]C.C[Si](C)(C)[N-]CCN(CC[N-][Si](C)(C)C)Cc1ccccn1.C[Si](C)(C)[N-]CCN(CC[N-][Si](C)(C)C)Cc1ccccn1.[Zr+4].[Zr+4]
InChIInChI=1S/2C16H32N4Si2.4C2H6N.2Zr/c2*1-21(2,3)18-11-13-20(14-12-19-22(4,5)6)15-16-9-7-8-10-17-16;4*1-3-2;;/h2*7-10H,11-15H2,1-6H3;4*1-2H3;;/q2*-2;4*-1;2*+4
InChIKeyGIMWKNCETKNALY-UHFFFAOYSA-N
XLogP11.08
TPSA145.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.02
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 130339696
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CID 58058036
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
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CID 101205113
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 144884135
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216

Frequently Asked Questions

What is the IUPAC name of tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))?
The IUPAC name of tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+)) (CID 139132885) is tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+)).
What is the SMILES notation for tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))?
The canonical SMILES for tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+)) is C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[Si](C)(C)[N-]CCN(CC[N-][Si](C)(C)C)Cc1ccccn1.C[Si](C)(C)[N-]CCN(CC[N-][Si](C)(C)C)Cc1ccccn1.[Zr+4].[Zr+4].
What is the InChIKey of tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))?
The InChIKey is GIMWKNCETKNALY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H32N4Si2.4C2H6N.2Zr/c2*1-21(2,3)18-11-13-20(14-12-19-22(4,5)6)15-16-9-7-8-10-17-16;4*1-3-2;;/h2*7-10H,11-15H2,1-6H3;4*1-2H3;;/q2*-2;4*-1;2*+4.
What are the key properties of tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))?
tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+)) has a molecular weight of 1032.02 g/mol, XLogP of 11.08, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+)) is sourced from PubChem (CID 139132885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).