3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum

C21H16N3OPt- — CID 58975611

IUPAC3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum
SMILESOc1ccccc1.[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1
InChIInChI=1S/C15H10N3.C6H6O.Pt/c1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;7-6-4-2-1-3-5-6;/h1-8,10-11H;1-5,7H;/q-1;;
InChIKeyRLNQKJADFMMEGO-UHFFFAOYSA-N
MW521.46 g/mol
LogP4.40
Rot. Bonds2

About 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum

3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum (PubChem CID 58975611) has the molecular formula C21H16N3OPt- and a molecular weight of 521.46 g/mol. Its IUPAC name is 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum.

Molecular Properties

Compound Name3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum
PubChem CID58975611
Molecular FormulaC21H16N3OPt-
Molecular Weight521.46 g/mol
Exact Mass521.09
IUPAC Name3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum
SMILESOc1ccccc1.[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1
InChIInChI=1S/C15H10N3.C6H6O.Pt/c1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;7-6-4-2-1-3-5-6;/h1-8,10-11H;1-5,7H;/q-1;;
InChIKeyRLNQKJADFMMEGO-UHFFFAOYSA-N
XLogP4.40
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum?
The IUPAC name of 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum (CID 58975611) is 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum.
What is the SMILES notation for 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum?
The canonical SMILES for 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum is Oc1ccccc1.[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1.
What is the InChIKey of 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum?
The InChIKey is RLNQKJADFMMEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N3.C6H6O.Pt/c1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;7-6-4-2-1-3-5-6;/h1-8,10-11H;1-5,7H;/q-1;;.
What are the key properties of 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum?
3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum has a molecular weight of 521.46 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipyridin-2-yl-4H-pyridin-4-ide;phenol;platinum is sourced from PubChem (CID 58975611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).