1,10-phenanthroline; ruthenium; 5-(1,4,7,10-tetrazacyclododec-1-ylmethyl)-1,10-phenanthroline

Systemtic Name: 1,10-phenanthroline; ruthenium; 5-(1,4,7,10-tetrazacyclododec-1-ylmethyl)-1,10-phenanthroline Openeye Name: 1,10-phenanthroline; ruthenium; 5-(1,4,7,10-tetrazacyclododec-1-ylmethyl)-1,10-phenanthroline CAS Name: 1,10-phenanthroline; ruthenium; 5-(1,4,7,10-tetrazacyclododec-1-ylmethyl)-1,10-phenanthroline IUPAC Name: 1,10-phenanthroline; ruthenium; 5-(1,4,7,10-tetrazacyclododec-1-ylmethyl)-1,10-phenanthroline Traditional Name: 1,10-phenanthroline; ruthenium; 5-(1,4,7,10-tetrazacyclododec-1-ylmethyl)-1,10-phenanthroline Formula: C45H44N10Ru MolecularWeight: 825.96786

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)CC2=C3C=CC=NC3=C4C(=C2)C=CC=N4.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Ru]

Isomeric SMILES

C1CNCCN(CCNCCN1)CC2=C3C=CC=NC3=C4C(=C2)C=CC=N4.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Ru]

InChI

InChI=1S/C21H28N6.2C12H8N2.Ru/c1-3-17-15-18(19-4-2-6-26-21(19)20(17)25-5-1)16-27-13-11-23-9-7-22-8-10-24-12-14-27;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,15,22-24H,7-14,16H2;2*1-8H;