2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)

C25H20N2OPt — CID 58709059

IUPAC2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)
SMILESCC(C)(c1[c-]cccc1)c1cccc(Oc2[c-]c(-c3ccccn3)ccc2)n1.[Pt+2]
InChIInChI=1S/C25H20N2O.Pt/c1-25(2,20-11-4-3-5-12-20)23-15-9-16-24(27-23)28-21-13-8-10-19(18-21)22-14-6-7-17-26-22;/h3-11,13-17H,1-2H3;/q-2;+2
InChIKeyBKPRGEAFCQOQOM-UHFFFAOYSA-N
MW559.53 g/mol
LogP5.86
Rot. Bonds5

About 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)

2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+) (PubChem CID 58709059) has the molecular formula C25H20N2OPt and a molecular weight of 559.53 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+).

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)
PubChem CID58709059
Molecular FormulaC25H20N2OPt
Molecular Weight559.53 g/mol
Exact Mass559.12
IUPAC Name2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)
SMILESCC(C)(c1[c-]cccc1)c1cccc(Oc2[c-]c(-c3ccccn3)ccc2)n1.[Pt+2]
InChIInChI=1S/C25H20N2O.Pt/c1-25(2,20-11-4-3-5-12-20)23-15-9-16-24(27-23)28-21-13-8-10-19(18-21)22-14-6-7-17-26-22;/h3-11,13-17H,1-2H3;/q-2;+2
InChIKeyBKPRGEAFCQOQOM-UHFFFAOYSA-N
XLogP5.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.53
LogP ≤ 55.86
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)?
The IUPAC name of 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+) (CID 58709059) is 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+).
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+) is CC(C)(c1[c-]cccc1)c1cccc(Oc2[c-]c(-c3ccccn3)ccc2)n1.[Pt+2].
What is the InChIKey of 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)?
The InChIKey is BKPRGEAFCQOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O.Pt/c1-25(2,20-11-4-3-5-12-20)23-15-9-16-24(27-23)28-21-13-8-10-19(18-21)22-14-6-7-17-26-22;/h3-11,13-17H,1-2H3;/q-2;+2.
What are the key properties of 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)?
2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+) has a molecular weight of 559.53 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+) is sourced from PubChem (CID 58709059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).