pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum

C19H21N2O3Pt- — CID 59512705

IUPACpentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum
SMILESCC(O)CC(C)O.[Pt].[c-]1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H9N2O.C5H12O2.Pt/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-4(6)3-5(2)7;/h1-9H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyYPSQAIFHVUKXIS-UHFFFAOYSA-N
MW520.47 g/mol
LogP3.34
Rot. Bonds4

About pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum

pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum (PubChem CID 59512705) has the molecular formula C19H21N2O3Pt- and a molecular weight of 520.47 g/mol. Its IUPAC name is pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum.

Molecular Properties

Compound Namepentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum
PubChem CID59512705
Molecular FormulaC19H21N2O3Pt-
Molecular Weight520.47 g/mol
Exact Mass520.12
IUPAC Namepentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum
SMILESCC(O)CC(C)O.[Pt].[c-]1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H9N2O.C5H12O2.Pt/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-4(6)3-5(2)7;/h1-9H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyYPSQAIFHVUKXIS-UHFFFAOYSA-N
XLogP3.34
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;pentane-2,4-diol
CID 59512742
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrazine
CID 58991487
2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;iridium;pentane-2,4-diol
CID 59512721
4,5-diphenyl-3-phenyl-1,2,4-triazole;iridium;pentane-2,4-diol
CID 59512739
iridium;pentane-2,4-diol;bis(4-phenyl-2-phenylpyridine)
CID 153309687
3,4-diphenyl-5-propan-2-yl-1,2,4-triazole;bis(iridium);methane;pentane-2,4-diol;4-phenyl-3-phenyl-5-propan-2-yl-1,2,4-triazole
CID 159097037
iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 162475890
4-(4-tert-butylphenyl)-3,5-diphenyl-1,2,4-triazole;4-(4-tert-butylphenyl)-5-phenyl-3-phenyl-1,2,4-triazole;bis(iridium);methane;pentane-2,4-diol
CID 162152962
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
iridium;4-methyl-6-phenylpyrimidine;pentane-2,4-diol
CID 140590079
iridium;5-naphthalen-1-yl-3-phenyl-2-phenylpyrazine;pentane-2,4-diol
CID 58991381

Frequently Asked Questions

What is the IUPAC name of pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum?
The IUPAC name of pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum (CID 59512705) is pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum.
What is the SMILES notation for pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum?
The canonical SMILES for pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum is CC(O)CC(C)O.[Pt].[c-]1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum?
The InChIKey is YPSQAIFHVUKXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N2O.C5H12O2.Pt/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-4(6)3-5(2)7;/h1-9H;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum?
pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum has a molecular weight of 520.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum is sourced from PubChem (CID 59512705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).