2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol; nickel(2+); 1,10-phenanthroline-1,10-diide

Systemtic Name: 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol; nickel(2+); 1,10-phenanthroline-1,10-diide Openeye Name: nickelous; 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol; 1,10-phenanthroline-1,10-diide CAS Name: 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol; nickel(2+); 1,10-phenanthroline-1,10-diide IUPAC Name: 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol; nickel(2+); 1,10-phenanthroline-1,10-diide Traditional Name: nickelous; 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol; 1,10-phenanthroline-1,10-diide Formula: C30H27N7NiO MolecularWeight: 560.27508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CN(CCO)CC3=NC4=CC=CC=C4N3.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Ni+2]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CN(CCO)CC3=NC4=CC=CC=C4N3.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Ni+2]

InChI

InChI=1S/C18H19N5O.C12H8N2.Ni/c24-10-9-23(11-17-19-13-5-1-2-6-14(13)20-17)12-18-21-15-7-3-4-8-16(15)22-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,24H,9-12H2,(H,19,20)(H,21,22);1-8H;/q;-2;+2