4,7-phenanthroline

Synonyms: "4,7-Phenanthroline","[4,7]phenanthroline", "pyridino[3,2-f]quinoline".

Source: 4,7-Phenanthroline is a simple, commercially available ligand that favors bridging over chelation.

Identifiers:

IUPAC Name: 4,7-phenanthroline
CAS Number: 230-07-9
PubChem ID: 67472
InChiKey: DATYUTWESAKQQM-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=CC3=C2C=CC=N3)N=C1

Structural Properties:

Molecular Formula: C₁₂H₈N₂
Molecular Weight: 180.210

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 14

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Benisek M, Blaha L, Hilscherova K. 2008. Interference of PAHs and their N-heterocyclic analogs with signaling of retinoids in vitro. Toxicol in Vitro 22(8):1909-1917. DOI: 10.1016/j.tiv.2008.09.009. URL: http://www.sciencedirect.com/science/article/pii/S0887233308002373?via%3Dihub.