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

C26H36CoN2 — CID 69498606

IUPACN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.[Co]
InChIInChI=1S/C26H36N2.Co/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;/b27-15+,28-16+;
InChIKeyHYQPJIPVCNYNPE-FRYFQGJDSA-N
MW435.52 g/mol
LogP8.28
Rot. Bonds7

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

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt (PubChem CID 69498606) has the molecular formula C26H36CoN2 and a molecular weight of 435.52 g/mol. Its IUPAC name is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt.

Molecular Properties

Compound NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
PubChem CID69498606
Molecular FormulaC26H36CoN2
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.[Co]
InChIInChI=1S/C26H36N2.Co/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;/b27-15+,28-16+;
InChIKeyHYQPJIPVCNYNPE-FRYFQGJDSA-N
XLogP8.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 58.28
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;carbanide;nickel
CID 21339154
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
[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]-1-(furan-2-yl)methanimine
CID 850160
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
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173243069

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt?
The IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt (CID 69498606) is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt.
What is the SMILES notation for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt?
The canonical SMILES for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt is CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.[Co].
What is the InChIKey of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt?
The InChIKey is HYQPJIPVCNYNPE-FRYFQGJDSA-N. The full InChI is InChI=1S/C26H36N2.Co/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;/b27-15+,28-16+;.
What are the key properties of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt?
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt has a molecular weight of 435.52 g/mol, XLogP of 8.28, 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;cobalt is sourced from PubChem (CID 69498606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).