2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)

C22H14N2PtS — CID 58871037

IUPAC2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)ccc1
InChIInChI=1S/C22H14N2S.Pt/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)20-12-7-14-22(24-20)25-21-13-4-5-15-23-21;/h1-8,10-15H;/q-2;+2
InChIKeyJNTRSSAWINYKID-UHFFFAOYSA-N
MW533.51 g/mol
LogP5.56
Rot. Bonds4

About 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)

2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+) (PubChem CID 58871037) has the molecular formula C22H14N2PtS and a molecular weight of 533.51 g/mol. Its IUPAC name is 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+).

Molecular Properties

Compound Name2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)
PubChem CID58871037
Molecular FormulaC22H14N2PtS
Molecular Weight533.51 g/mol
Exact Mass533.05
IUPAC Name2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)ccc1
InChIInChI=1S/C22H14N2S.Pt/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)20-12-7-14-22(24-20)25-21-13-4-5-15-23-21;/h1-8,10-15H;/q-2;+2
InChIKeyJNTRSSAWINYKID-UHFFFAOYSA-N
XLogP5.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.51
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)
CID 153423536
bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 164733625
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
platinum;2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-2-pyridinyl]phenol
CID 153304165
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum
CID 164733681
2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum
CID 153280455
chlorozinc(1+);2-phenylpyridine
CID 59773311
platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol
CID 153280473
chloronickel;2,6-di(phenyl)pyridine
CID 153499161

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)?
The IUPAC name of 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+) (CID 58871037) is 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+).
What is the SMILES notation for 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)?
The canonical SMILES for 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+) is [Pt+2].[c-]1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)ccc1.
What is the InChIKey of 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)?
The InChIKey is JNTRSSAWINYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2S.Pt/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)20-12-7-14-22(24-20)25-21-13-4-5-15-23-21;/h1-8,10-15H;/q-2;+2.
What are the key properties of 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)?
2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+) has a molecular weight of 533.51 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+) is sourced from PubChem (CID 58871037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).