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

C24H28Au2N4O2 — CID 137348951

IUPACgold;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
InChIKeyFDWNXZIPDLARTI-UHFFFAOYSA-N
MW798.45 g/mol
LogP3.87
Rot. Bonds2

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

gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate (PubChem CID 137348951) has the molecular formula C24H28Au2N4O2 and a molecular weight of 798.45 g/mol. Its IUPAC name is gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate.

Molecular Properties

Compound Namegold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
PubChem CID137348951
Molecular FormulaC24H28Au2N4O2
Molecular Weight798.45 g/mol
Exact Mass798.15
IUPAC Namegold;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
InChIKeyFDWNXZIPDLARTI-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

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Frequently Asked Questions

What is the IUPAC name of gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate?
The IUPAC name of gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate (CID 137348951) is gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate.
What is the SMILES notation for gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate?
The canonical SMILES for gold;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 gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate?
The InChIKey is FDWNXZIPDLARTI-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.
What are the key properties of gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate?
gold;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 gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate is sourced from PubChem (CID 137348951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).