platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine

C22H12N2O2PtS — CID 153433348

IUPACplatinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine
SMILES[Pt+2].[c-]1c(Oc2ccccn2)ccc2sc3ccc(Oc4ccccn4)[c-]c3c12
InChIInChI=1S/C22H12N2O2S.Pt/c1-3-11-23-21(5-1)25-15-7-9-19-17(13-15)18-14-16(8-10-20(18)27-19)26-22-6-2-4-12-24-22;/h1-12H;/q-2;+2
InChIKeyKHMLPTGMNSMPQM-UHFFFAOYSA-N
MW563.50 g/mol
LogP6.03
Rot. Bonds4

About platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine

platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine (PubChem CID 153433348) has the molecular formula C22H12N2O2PtS and a molecular weight of 563.50 g/mol. Its IUPAC name is platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine.

Molecular Properties

Compound Nameplatinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine
PubChem CID153433348
Molecular FormulaC22H12N2O2PtS
Molecular Weight563.50 g/mol
Exact Mass563.03
IUPAC Nameplatinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine
SMILES[Pt+2].[c-]1c(Oc2ccccn2)ccc2sc3ccc(Oc4ccccn4)[c-]c3c12
InChIInChI=1S/C22H12N2O2S.Pt/c1-3-11-23-21(5-1)25-15-7-9-19-17(13-15)18-14-16(8-10-20(18)27-19)26-22-6-2-4-12-24-22;/h1-12H;/q-2;+2
InChIKeyKHMLPTGMNSMPQM-UHFFFAOYSA-N
XLogP6.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine with MolForge

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Related Compounds

9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
CID 153433511
iridium(3+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-6-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 140597838
9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
CID 153433428
platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate
CID 58709124
CID 155650074
CID 155650074
ethane;2-phenoxypyridine
CID 90835857
ethanone;palladium;palladium(2+);2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxyphenoxy)phenoxy]pyridine
CID 159087570
CID 155649934
CID 155649934
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)
CID 58709031
platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide
CID 162492167
CID 175111854
CID 175111854
2-methoxypyridine
CID 71774587

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine?
The IUPAC name of platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine (CID 153433348) is platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine.
What is the SMILES notation for platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine?
The canonical SMILES for platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine is [Pt+2].[c-]1c(Oc2ccccn2)ccc2sc3ccc(Oc4ccccn4)[c-]c3c12.
What is the InChIKey of platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine?
The InChIKey is KHMLPTGMNSMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O2S.Pt/c1-3-11-23-21(5-1)25-15-7-9-19-17(13-15)18-14-16(8-10-20(18)27-19)26-22-6-2-4-12-24-22;/h1-12H;/q-2;+2.
What are the key properties of platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine?
platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine has a molecular weight of 563.50 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine is sourced from PubChem (CID 153433348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).