2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

C23H13FN4Pt — CID 58518113

IUPAC2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILESN#Cc1cc(-c2ccccn2)[c-]cc1F.[Pt+2].[c-]1cccc2ccn3ccnc3c12
InChIInChI=1S/C12H6FN2.C11H7N2.Pt/c13-11-5-4-9(7-10(11)8-14)12-3-1-2-6-15-12;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-3,5-7H;1-3,5-8H;/q2*-1;+2
InChIKeyZJHHJXFXYNBSEV-UHFFFAOYSA-N
MW559.46 g/mol
LogP4.84
Rot. Bonds1

About 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (PubChem CID 58518113) has the molecular formula C23H13FN4Pt and a molecular weight of 559.46 g/mol. Its IUPAC name is 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

Molecular Properties

Compound Name2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
PubChem CID58518113
Molecular FormulaC23H13FN4Pt
Molecular Weight559.46 g/mol
Exact Mass559.08
IUPAC Name2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILESN#Cc1cc(-c2ccccn2)[c-]cc1F.[Pt+2].[c-]1cccc2ccn3ccnc3c12
InChIInChI=1S/C12H6FN2.C11H7N2.Pt/c13-11-5-4-9(7-10(11)8-14)12-3-1-2-6-15-12;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-3,5-7H;1-3,5-8H;/q2*-1;+2
InChIKeyZJHHJXFXYNBSEV-UHFFFAOYSA-N
XLogP4.84
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) with MolForge

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Related Compounds

10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine
CID 58517580
10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+);pyridine;cyanide
CID 58517492
CID 58517988
CID 58517988
bis(10H-imidazo[2,1-a]isoquinolin-10-ide);iridium;8-methyl-10H-imidazo[2,1-a]isoquinolin-4-ium-1,10-diide
CID 171043166
5-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58518069
(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium
CID 59782104
iridium;tris(2-phenylpyridine)
CID 23386734
2-(2-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 21044153
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium(3+));bis(2-(4-methylbenzene-6-id-1-yl)pyridine);octakis(2-phenylpyridine)
CID 157371936
2-(3-bromobenzene-6-id-1-yl)pyridine;iridium;1,10-phenanthroline
CID 58720836
2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
CID 58658159
2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The IUPAC name of 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (CID 58518113) is 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).
What is the SMILES notation for 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The canonical SMILES for 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is N#Cc1cc(-c2ccccn2)[c-]cc1F.[Pt+2].[c-]1cccc2ccn3ccnc3c12.
What is the InChIKey of 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The InChIKey is ZJHHJXFXYNBSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN2.C11H7N2.Pt/c13-11-5-4-9(7-10(11)8-14)12-3-1-2-6-15-12;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-3,5-7H;1-3,5-8H;/q2*-1;+2.
What are the key properties of 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) has a molecular weight of 559.46 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is sourced from PubChem (CID 58518113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).