1,3-bis(1,10-phenanthrolin-3-yloxy)propan-2-amine; copper(1+)

Systemtic Name: 1,3-bis(1,10-phenanthrolin-3-yloxy)propan-2-amine; copper(1+) Openeye Name: cuprous 1,3-bis(1,10-phenanthrolin-3-yloxy)propan-2-amine CAS Name: 1,3-bis(1,10-phenanthrolin-3-yloxy)-2-propanamine; copper(1+) IUPAC Name: 1,3-bis(1,10-phenanthrolin-3-yloxy)propan-2-amine; copper(1+) Traditional Name: cuprous [2-(1,10-phenanthrolin-3-yloxy)-1-(1,10-phenanthrolin-3-yloxymethyl)ethyl]amine Formula: C54H42CuN10O4+ MolecularWeight: 958.52188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=NC=C(C=C3C=C2)OCC(COC4=CN=C5C(=C4)C=CC6=C5N=CC=C6)N)N=C1.C1=CC2=C(C3=NC=C(C=C3C=C2)OCC(COC4=CN=C5C(=C4)C=CC6=C5N=CC=C6)N)N=C1.[Cu+]

Isomeric SMILES

C1=CC2=C(C3=NC=C(C=C3C=C2)OCC(COC4=CN=C5C(=C4)C=CC6=C5N=CC=C6)N)N=C1.C1=CC2=C(C3=NC=C(C=C3C=C2)OCC(COC4=CN=C5C(=C4)C=CC6=C5N=CC=C6)N)N=C1.[Cu+]

InChI

InChI=1S/2C27H21N5O2.Cu/c2*28-21(15-33-22-11-19-7-5-17-3-1-9-29-24(17)26(19)31-13-22)16-34-23-12-20-8-6-18-4-2-10-30-25(18)27(20)32-14-23;/h2*1-14,21H,15-16,28H2;/q;;+1