4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)

C32H44N2NiO2 — CID 139047677

IUPAC4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)
SMILESCC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Ni+2]
InChIInChI=1S/C18H24N2.C14H22O2.Ni/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;/h7-12H,1-6H3;7-8,15-16H,1-6H3;/q;;+2/p-2
InChIKeyGLZWOAIGTDZWLX-UHFFFAOYSA-L
MW547.41 g/mol
LogP7.16
Rot. Bonds1

About 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+) (PubChem CID 139047677) has the molecular formula C32H44N2NiO2 and a molecular weight of 547.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+).

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)
PubChem CID139047677
Molecular FormulaC32H44N2NiO2
Molecular Weight547.41 g/mol
Exact Mass546.28
IUPAC Name4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)
SMILESCC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Ni+2]
InChIInChI=1S/C18H24N2.C14H22O2.Ni/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;/h7-12H,1-6H3;7-8,15-16H,1-6H3;/q;;+2/p-2
InChIKeyGLZWOAIGTDZWLX-UHFFFAOYSA-L
XLogP7.16
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.41
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)?
The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+) (CID 139047677) is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+).
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+) is CC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Ni+2].
What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)?
The InChIKey is GLZWOAIGTDZWLX-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H24N2.C14H22O2.Ni/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;/h7-12H,1-6H3;7-8,15-16H,1-6H3;/q;;+2/p-2.
What are the key properties of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)?
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+) has a molecular weight of 547.41 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+) is sourced from PubChem (CID 139047677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).