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

C26H36Br2N2Ni — CID 21339155

IUPACN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
SMILESBr[Ni]Br.CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H36N2.2BrH.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;2*1H;/q;;;+2/p-2/b27-15+,28-16+;;;
InChIKeyWBQLICPIMKTKKK-VEDJOPRVSA-L
MW595.09 g/mol
LogP9.97
Rot. Bonds7

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

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel (PubChem CID 21339155) has the molecular formula C26H36Br2N2Ni and a molecular weight of 595.09 g/mol. Its IUPAC name is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel.

Molecular Properties

Compound NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
PubChem CID21339155
Molecular FormulaC26H36Br2N2Ni
Molecular Weight595.09 g/mol
Exact Mass592.06
IUPAC NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
SMILESBr[Ni]Br.CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H36N2.2BrH.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;2*1H;/q;;;+2/p-2/b27-15+,28-16+;;;
InChIKeyWBQLICPIMKTKKK-VEDJOPRVSA-L
XLogP9.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.09
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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;carbanide;nickel
CID 21339154
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)
CID 159420397
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;1-N,2-N-bis(2-ethyl-6-propan-2-ylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2-ethyl-6-propan-2-ylphenyl)butane-2,3-diimine;tris(dibromonickel)
CID 158886322
N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
CID 850160
[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
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
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
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel?
The IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel (CID 21339155) is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel.
What is the SMILES notation for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel?
The canonical SMILES for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel is Br[Ni]Br.CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel?
The InChIKey is WBQLICPIMKTKKK-VEDJOPRVSA-L. The full InChI is InChI=1S/C26H36N2.2BrH.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;2*1H;/q;;;+2/p-2/b27-15+,28-16+;;;.
What are the key properties of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel?
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel has a molecular weight of 595.09 g/mol, XLogP of 9.97, 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;dibromonickel is sourced from PubChem (CID 21339155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).