N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel

C27H39N2Ni- — CID 21339154

IUPACN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.[CH3-].[Ni]
InChIInChI=1S/C26H36N2.CH3.Ni/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;/h9-20H,1-8H3;1H3;/q;-1;/b27-15+,28-16+;;
InChIKeyGOLDVUNSPJYBPP-HQRQQUDRSA-N
MW450.32 g/mol
LogP8.73
Rot. Bonds7

About N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel (PubChem CID 21339154) has the molecular formula C27H39N2Ni- and a molecular weight of 450.32 g/mol. Its IUPAC name is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel.

Molecular Properties

Compound NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
PubChem CID21339154
Molecular FormulaC27H39N2Ni-
Molecular Weight450.32 g/mol
Exact Mass449.25
IUPAC NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.[CH3-].[Ni]
InChIInChI=1S/C26H36N2.CH3.Ni/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;/h9-20H,1-8H3;1H3;/q;-1;/b27-15+,28-16+;;
InChIKeyGOLDVUNSPJYBPP-HQRQQUDRSA-N
XLogP8.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.32
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine;bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;bis(nickel dihydride);nickel monohydride
CID 159038945
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
CID 59881388
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate
CID 59080028
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel?
The IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel (CID 21339154) is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel.
What is the SMILES notation for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel?
The canonical SMILES for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel is CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.[CH3-].[Ni].
What is the InChIKey of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel?
The InChIKey is GOLDVUNSPJYBPP-HQRQQUDRSA-N. The full InChI is InChI=1S/C26H36N2.CH3.Ni/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;/h9-20H,1-8H3;1H3;/q;-1;/b27-15+,28-16+;;.
What are the key properties of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel?
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel has a molecular weight of 450.32 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel is sourced from PubChem (CID 21339154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).