bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)

C34H56N2NiO2 — CID 5246282

IUPACbis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)
SMILESCC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.CC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.[Ni+2]
InChIInChI=1S/2C17H28NO.Ni/c2*1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19;/h2*7-9,11-14,19H,10H2,1-6H3;/q2*-1;+2
InChIKeyPPSBXEMXPYZBGB-UHFFFAOYSA-N
MW583.53 g/mol
LogP10.19
Rot. Bonds12

About bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)

bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+) (PubChem CID 5246282) has the molecular formula C34H56N2NiO2 and a molecular weight of 583.53 g/mol. Its IUPAC name is bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+).

Molecular Properties

Compound Namebis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)
PubChem CID5246282
Molecular FormulaC34H56N2NiO2
Molecular Weight583.53 g/mol
Exact Mass582.37
IUPAC Namebis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)
SMILESCC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.CC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.[Ni+2]
InChIInChI=1S/2C17H28NO.Ni/c2*1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19;/h2*7-9,11-14,19H,10H2,1-6H3;/q2*-1;+2
InChIKeyPPSBXEMXPYZBGB-UHFFFAOYSA-N
XLogP10.19
TPSA68.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.53
LogP ≤ 510.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide
CID 5249761
aluminum;bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);ethane
CID 5249770
bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxy-4-phenylbutan-2-yl)azanide);nickel(2+)
CID 5246284
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)
CID 10864172
dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide
CID 153290983
2,6-di(propan-2-yl)phenol;silver
CID 174803720
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
[2,6-di(propan-2-yl)phenyl]-trimethylsilylazanide;tin(2+);chloride
CID 122387275
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820724
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376

Frequently Asked Questions

What is the IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)?
The IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+) (CID 5246282) is bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+).
What is the SMILES notation for bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)?
The canonical SMILES for bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+) is CC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.CC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.[Ni+2].
What is the InChIKey of bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)?
The InChIKey is PPSBXEMXPYZBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H28NO.Ni/c2*1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19;/h2*7-9,11-14,19H,10H2,1-6H3;/q2*-1;+2.
What are the key properties of bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)?
bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+) has a molecular weight of 583.53 g/mol, XLogP of 10.19, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+) is sourced from PubChem (CID 5246282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).