copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)

C26H20CuN2O2 — CID 139043841

IUPACcopper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)
SMILES[Cu+2].[O-]/C(=C\c1ccccn1)c1ccccc1.[O-]/C(=C\c1ccccn1)c1ccccc1
InChIInChI=1S/2C13H11NO.Cu/c2*15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h2*1-10,15H;/q;;+2/p-2/b2*13-10-;
InChIKeySPCJGRXLPVFJEL-UELGFSJDSA-L
MW456.00 g/mol
LogP3.88
Rot. Bonds4

About copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)

copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) (PubChem CID 139043841) has the molecular formula C26H20CuN2O2 and a molecular weight of 456.00 g/mol. Its IUPAC name is copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate).

Molecular Properties

Compound Namecopper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)
PubChem CID139043841
Molecular FormulaC26H20CuN2O2
Molecular Weight456.00 g/mol
Exact Mass455.08
IUPAC Namecopper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)
SMILES[Cu+2].[O-]/C(=C\c1ccccn1)c1ccccc1.[O-]/C(=C\c1ccccn1)c1ccccc1
InChIInChI=1S/2C13H11NO.Cu/c2*15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h2*1-10,15H;/q;;+2/p-2/b2*13-10-;
InChIKeySPCJGRXLPVFJEL-UELGFSJDSA-L
XLogP3.88
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.00
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 9562669
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CID 234268
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
4-Phenyl-1-(phenyl(pyridin-2-yl)methyl)piperidin-4-ol
CID 44426822
4-Phenyl-1-(phenyl(pyridin-3-yl)methyl)piperidin-4-ol
CID 44426823
(Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol
CID 135507984
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
2-(Benzyloxyiminomethyl)pyridine
CID 98778
4-(4-Phenyl-6-pyridin-3-yl-2-pyridinyl)phenol
CID 136086714
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715

Frequently Asked Questions

What is the IUPAC name of copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)?
The IUPAC name of copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) (CID 139043841) is copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate).
What is the SMILES notation for copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)?
The canonical SMILES for copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) is [Cu+2].[O-]/C(=C\c1ccccn1)c1ccccc1.[O-]/C(=C\c1ccccn1)c1ccccc1.
What is the InChIKey of copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)?
The InChIKey is SPCJGRXLPVFJEL-UELGFSJDSA-L. The full InChI is InChI=1S/2C13H11NO.Cu/c2*15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h2*1-10,15H;/q;;+2/p-2/b2*13-10-;.
What are the key properties of copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)?
copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) has a molecular weight of 456.00 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) is sourced from PubChem (CID 139043841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).