2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum

C23H25N3O2Pt — CID 58620891

IUPAC2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)C(=O)O)c1.[Pt]
InChIInChI=1S/C23H25N3O2.Pt/c1-22(2,3)15-13-19(26-20(14-15)23(4,5)21(27)28)18-11-8-10-17(25-18)16-9-6-7-12-24-16;/h6-14H,1-5H3,(H,27,28);
InChIKeyJJBUORJAOOURHR-UHFFFAOYSA-N
MW570.55 g/mol
LogP4.86
Rot. Bonds4

About 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum

2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum (PubChem CID 58620891) has the molecular formula C23H25N3O2Pt and a molecular weight of 570.55 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum.

Molecular Properties

Compound Name2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum
PubChem CID58620891
Molecular FormulaC23H25N3O2Pt
Molecular Weight570.55 g/mol
Exact Mass570.16
IUPAC Name2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)C(=O)O)c1.[Pt]
InChIInChI=1S/C23H25N3O2.Pt/c1-22(2,3)15-13-19(26-20(14-15)23(4,5)21(27)28)18-11-8-10-17(25-18)16-9-6-7-12-24-16;/h6-14H,1-5H3,(H,27,28);
InChIKeyJJBUORJAOOURHR-UHFFFAOYSA-N
XLogP4.86
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum with MolForge

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Launch Full Analysis

Related Compounds

2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
1-(3,5-ditert-butylphenyl)-3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]urea
CID 12990786
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid
CID 58004358
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol
CID 102283028
1-(3,5-ditert-butylphenyl)-3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,3-dimethylurea
CID 12990789
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
CID 145474640
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2,2-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanoic acid
CID 116965801
1-(6-pyridin-2-yl-2-pyridinyl)but-2-yn-1-one
CID 135252428

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum?
The IUPAC name of 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum (CID 58620891) is 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum.
What is the SMILES notation for 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum?
The canonical SMILES for 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum is CC(C)(C)c1cc(-c2cccc(-c3ccccn3)n2)nc(C(C)(C)C(=O)O)c1.[Pt].
What is the InChIKey of 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum?
The InChIKey is JJBUORJAOOURHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.Pt/c1-22(2,3)15-13-19(26-20(14-15)23(4,5)21(27)28)18-11-8-10-17(25-18)16-9-6-7-12-24-16;/h6-14H,1-5H3,(H,27,28);.
What are the key properties of 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum?
2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum has a molecular weight of 570.55 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum is sourced from PubChem (CID 58620891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).