nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine

C26H22N2NiO2 — CID 139240662

IUPACnickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine
SMILESCC(=O)c1cc[c-]cc1.CC(=O)c1cc[c-]cc1.[Ni+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C8H7O.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(9)8-5-3-2-4-6-8;/h1-8H;2*3-6H,1H3;/q;2*-1;+2
InChIKeyWLIKYBSVBGRUEU-UHFFFAOYSA-N
MW453.17 g/mol
LogP5.52
Rot. Bonds3

About nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine

nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine (PubChem CID 139240662) has the molecular formula C26H22N2NiO2 and a molecular weight of 453.17 g/mol. Its IUPAC name is nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namenickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine
PubChem CID139240662
Molecular FormulaC26H22N2NiO2
Molecular Weight453.17 g/mol
Exact Mass452.10
IUPAC Namenickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine
SMILESCC(=O)c1cc[c-]cc1.CC(=O)c1cc[c-]cc1.[Ni+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C8H7O.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(9)8-5-3-2-4-6-8;/h1-8H;2*3-6H,1H3;/q;2*-1;+2
InChIKeyWLIKYBSVBGRUEU-UHFFFAOYSA-N
XLogP5.52
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.17
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Di-2-pyridylethanedione
CID 68115
(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 6018993
2,6-Bis(2-pyridyl)-4(1H)-pyridone
CID 619353
Bis(2-pyridyl) ketone
CID 88065
(2Z,6E)-4-methyl-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 16188433
(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
CID 2132479
(3E,5E)-1-Methyl-3,5-bis[(pyridin-4-YL)methylidene]piperidin-4-one
CID 5470919
4-Methyl-2,6-bis(3-pyridinylmethylene)cyclohexanone
CID 1587345
(2Z,6E)-4-tert-butyl-2,6-bis(pyridin-2-ylmethylene)cyclohexanone
CID 2059132
(2Z,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one
CID 2320898
8-Methyl-2,4-bis(2-pyridinylmethylene)-8-azabicyclo[3.2.1]octan-3-one
CID 15945679
(3Z,5E)-1-methyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-4-one
CID 6383479

Frequently Asked Questions

What is the IUPAC name of nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine?
The IUPAC name of nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine (CID 139240662) is nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine.
What is the SMILES notation for nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine?
The canonical SMILES for nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine is CC(=O)c1cc[c-]cc1.CC(=O)c1cc[c-]cc1.[Ni+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine?
The InChIKey is WLIKYBSVBGRUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2C8H7O.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(9)8-5-3-2-4-6-8;/h1-8H;2*3-6H,1H3;/q;2*-1;+2.
What are the key properties of nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine?
nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine has a molecular weight of 453.17 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis(1-phenylethanone);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139240662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).