2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum

C21H16N3O2Pt- — CID 59029854

IUPAC2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum
SMILESO=c1cc(-c2ccccn2)[n-]c(-c2ccccn2)c1.Oc1ccccc1.[Pt]
InChIInChI=1S/C15H11N3O.C6H6O.Pt/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;7-6-4-2-1-3-5-6;/h1-10H,(H,18,19);1-5,7H;/p-1
InChIKeySCOAIZOPDFKMIQ-UHFFFAOYSA-M
MW537.46 g/mol
LogP3.52
Rot. Bonds2

About 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum

2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum (PubChem CID 59029854) has the molecular formula C21H16N3O2Pt- and a molecular weight of 537.46 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum
PubChem CID59029854
Molecular FormulaC21H16N3O2Pt-
Molecular Weight537.46 g/mol
Exact Mass537.09
IUPAC Name2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum
SMILESO=c1cc(-c2ccccn2)[n-]c(-c2ccccn2)c1.Oc1ccccc1.[Pt]
InChIInChI=1S/C15H11N3O.C6H6O.Pt/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;7-6-4-2-1-3-5-6;/h1-10H,(H,18,19);1-5,7H;/p-1
InChIKeySCOAIZOPDFKMIQ-UHFFFAOYSA-M
XLogP3.52
TPSA77.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum?
The IUPAC name of 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum (CID 59029854) is 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum?
The canonical SMILES for 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum is O=c1cc(-c2ccccn2)[n-]c(-c2ccccn2)c1.Oc1ccccc1.[Pt].
What is the InChIKey of 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum?
The InChIKey is SCOAIZOPDFKMIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N3O.C6H6O.Pt/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;7-6-4-2-1-3-5-6;/h1-10H,(H,18,19);1-5,7H;/p-1.
What are the key properties of 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum?
2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum has a molecular weight of 537.46 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridin-1-id-4-one;phenol;platinum is sourced from PubChem (CID 59029854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).