bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate

C24H28Au2N4O2+2 — CID 71593028

IUPACbis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
SMILESCc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.O.O.[Au+].[Au+]
InChIInChI=1S/2C12H12N2.2Au.2H2O/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;/h2*3-8H,1-2H3;;;2*1H2/q;;2*+1;;
InChIKeyUAXJIFUKTFOOQD-UHFFFAOYSA-N
MW798.45 g/mol
LogP3.87
Rot. Bonds2

About bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate

bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate (PubChem CID 71593028) has the molecular formula C24H28Au2N4O2+2 and a molecular weight of 798.45 g/mol. Its IUPAC name is bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate.

Molecular Properties

Compound Namebis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
PubChem CID71593028
Molecular FormulaC24H28Au2N4O2+2
Molecular Weight798.45 g/mol
Exact Mass798.15
IUPAC Namebis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
SMILESCc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.O.O.[Au+].[Au+]
InChIInChI=1S/2C12H12N2.2Au.2H2O/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;/h2*3-8H,1-2H3;;;2*1H2/q;;2*+1;;
InChIKeyUAXJIFUKTFOOQD-UHFFFAOYSA-N
XLogP3.87
TPSA114.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500798.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate?
The IUPAC name of bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate (CID 71593028) is bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate.
What is the SMILES notation for bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate?
The canonical SMILES for bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate is Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.O.O.[Au+].[Au+].
What is the InChIKey of bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate?
The InChIKey is UAXJIFUKTFOOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2.2Au.2H2O/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;/h2*3-8H,1-2H3;;;2*1H2/q;;2*+1;;.
What are the key properties of bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate?
bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate has a molecular weight of 798.45 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate is sourced from PubChem (CID 71593028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).