copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)

C24H24CuN4+2 — CID 140806509

IUPACcopper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)
SMILESCc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.[Cu+2]
InChIInChI=1S/2C12H12N2.Cu/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h2*3-8H,1-2H3;/q;;+2
InChIKeyPCBCSCXUIHVCIS-UHFFFAOYSA-N
MW432.03 g/mol
LogP5.52
Rot. Bonds2

About copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)

copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine) (PubChem CID 140806509) has the molecular formula C24H24CuN4+2 and a molecular weight of 432.03 g/mol. Its IUPAC name is copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine).

Molecular Properties

Compound Namecopper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)
PubChem CID140806509
Molecular FormulaC24H24CuN4+2
Molecular Weight432.03 g/mol
Exact Mass431.13
IUPAC Namecopper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)
SMILESCc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.[Cu+2]
InChIInChI=1S/2C12H12N2.Cu/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h2*3-8H,1-2H3;/q;;+2
InChIKeyPCBCSCXUIHVCIS-UHFFFAOYSA-N
XLogP5.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.03
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)?
The IUPAC name of copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine) (CID 140806509) is copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine).
What is the SMILES notation for copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)?
The canonical SMILES for copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine) is Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.[Cu+2].
What is the InChIKey of copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)?
The InChIKey is PCBCSCXUIHVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2.Cu/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h2*3-8H,1-2H3;/q;;+2.
What are the key properties of copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine)?
copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine) has a molecular weight of 432.03 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine) is sourced from PubChem (CID 140806509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).