platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol

C21H14N3OPtS- — CID 153280573

IUPACplatinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1ccnc(-c2[c-]c(Sc3ccccn3)ccc2)n1.[Pt]
InChIInChI=1S/C21H14N3OS.Pt/c25-19-9-2-1-8-17(19)18-11-13-23-21(24-18)15-6-5-7-16(14-15)26-20-10-3-4-12-22-20;/h1-13,25H;/q-1;
InChIKeyFGMYJVNVALFZEF-UHFFFAOYSA-N
MW551.51 g/mol
LogP4.86
Rot. Bonds4

About platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol

platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol (PubChem CID 153280573) has the molecular formula C21H14N3OPtS- and a molecular weight of 551.51 g/mol. Its IUPAC name is platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Nameplatinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol
PubChem CID153280573
Molecular FormulaC21H14N3OPtS-
Molecular Weight551.51 g/mol
Exact Mass551.05
IUPAC Nameplatinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1ccnc(-c2[c-]c(Sc3ccccn3)ccc2)n1.[Pt]
InChIInChI=1S/C21H14N3OS.Pt/c25-19-9-2-1-8-17(19)18-11-13-23-21(24-18)15-6-5-7-16(14-15)26-20-10-3-4-12-22-20;/h1-13,25H;/q-1;
InChIKeyFGMYJVNVALFZEF-UHFFFAOYSA-N
XLogP4.86
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

platinum;2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-2-pyridinyl]phenol
CID 153304165
4-tert-butyl-2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrazin-2-yl]phenol;2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-2-yl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;2-[4-phenyl-6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
CID 158238954
2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)pyrimidin-2-yl]phenol;platinum
CID 153280348
platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol
CID 153280473
2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum
CID 153280455
platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid
CID 58709005
2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol
CID 153280568
2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylphenyl)pyrimidin-2-yl]phenol
CID 153280198
2-(2-bromopyrimidin-4-yl)phenol
CID 136967154
2-[2-(chloromethyl)pyrimidin-4-yl]phenol
CID 174635932
9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153421950
2-pyridin-2-ylphenol;hydrate
CID 175244966

Frequently Asked Questions

What is the IUPAC name of platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol?
The IUPAC name of platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol (CID 153280573) is platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol.
What is the SMILES notation for platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol?
The canonical SMILES for platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol is Oc1ccccc1-c1ccnc(-c2[c-]c(Sc3ccccn3)ccc2)n1.[Pt].
What is the InChIKey of platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol?
The InChIKey is FGMYJVNVALFZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N3OS.Pt/c25-19-9-2-1-8-17(19)18-11-13-23-21(24-18)15-6-5-7-16(14-15)26-20-10-3-4-12-22-20;/h1-13,25H;/q-1;.
What are the key properties of platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol?
platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol has a molecular weight of 551.51 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 153280573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).