(2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum

C22H12F2N3OPt- — CID 58612687

IUPAC(2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum
SMILESO=C(c1cccc(-c2cccc(-c3ccccn3)n2)n1)c1[c-]cc(F)cc1F.[Pt]
InChIInChI=1S/C22H12F2N3O.Pt/c23-14-10-11-15(16(24)13-14)22(28)21-9-4-8-20(27-21)19-7-3-6-18(26-19)17-5-1-2-12-25-17;/h1-10,12-13H;/q-1;
InChIKeyZBTHGUCBWWNJBW-UHFFFAOYSA-N
MW567.43 g/mol
LogP4.51
Rot. Bonds4

About (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum

(2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum (PubChem CID 58612687) has the molecular formula C22H12F2N3OPt- and a molecular weight of 567.43 g/mol. Its IUPAC name is (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum.

Molecular Properties

Compound Name(2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum
PubChem CID58612687
Molecular FormulaC22H12F2N3OPt-
Molecular Weight567.43 g/mol
Exact Mass567.06
IUPAC Name(2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum
SMILESO=C(c1cccc(-c2cccc(-c3ccccn3)n2)n1)c1[c-]cc(F)cc1F.[Pt]
InChIInChI=1S/C22H12F2N3O.Pt/c23-14-10-11-15(16(24)13-14)22(28)21-9-4-8-20(27-21)19-7-3-6-18(26-19)17-5-1-2-12-25-17;/h1-10,12-13H;/q-1;
InChIKeyZBTHGUCBWWNJBW-UHFFFAOYSA-N
XLogP4.51
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum with MolForge

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Launch Full Analysis

Related Compounds

carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
CID 21044191
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;1-methylpyridin-1-ium-2-carboxylic acid
CID 58037200
dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);nitrite;perchlorate
CID 139129650
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;ethynylbenzene;iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 58898829
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine
CID 155643108
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729593
1-(6-pyridin-2-yl-2-pyridinyl)but-2-yn-1-one
CID 135252428
CID 162076307
CID 162076307
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum?
The IUPAC name of (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum (CID 58612687) is (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum.
What is the SMILES notation for (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum?
The canonical SMILES for (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum is O=C(c1cccc(-c2cccc(-c3ccccn3)n2)n1)c1[c-]cc(F)cc1F.[Pt].
What is the InChIKey of (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum?
The InChIKey is ZBTHGUCBWWNJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2N3O.Pt/c23-14-10-11-15(16(24)13-14)22(28)21-9-4-8-20(27-21)19-7-3-6-18(26-19)17-5-1-2-12-25-17;/h1-10,12-13H;/q-1;.
What are the key properties of (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum?
(2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum has a molecular weight of 567.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorobenzene-6-id-1-yl)-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanone;platinum is sourced from PubChem (CID 58612687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).