4,7-diphenyl-1,10-phenanthroline; perchloric acid

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; perchloric acid Openeye Name: 4,7-diphenyl-1,10-phenanthroline; perchloric acid CAS Name: 4,7-diphenyl-1,10-phenanthroline; perchloric acid IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; perchloric acid Traditional Name: 4,7-diphenyl-1,10-phenanthroline; perchloric acid Formula: C72H49ClN6O4 MolecularWeight: 1097.65026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.OCl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.OCl(=O)(=O)=O

InChI

InChI=1S/3C24H16N2.ClHO4/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2-1(3,4)5/h3*1-16H;(H,2,3,4,5)