2,9-bis[3-(diphenylmethyl)phenyl]-1,10-phenanthroline; copper(1+)

Systemtic Name: 2,9-bis[3-(diphenylmethyl)phenyl]-1,10-phenanthroline; copper(1+) Openeye Name: cuprous 2,9-bis(3-benzhydrylphenyl)-1,10-phenanthroline CAS Name: 2,9-bis[3-(diphenylmethyl)phenyl]-1,10-phenanthroline; copper(1+) IUPAC Name: 2,9-bis(3-benzhydrylphenyl)-1,10-phenanthroline; copper(1+) Traditional Name: cuprous 2,9-bis(3-benzhydrylphenyl)-1,10-phenanthroline Formula: C100H72CuN4+ MolecularWeight: 1393.21448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC(=C3)C4=NC5=C(C=CC6=C5N=C(C=C6)C7=CC(=CC=C7)C(C8=CC=CC=C8)C9=CC=CC=C9)C=C4.C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC(=C3)C4=NC5=C(C=CC6=C5N=C(C=C6)C7=CC(=CC=C7)C(C8=CC=CC=C8)C9=CC=CC=C9)C=C4.[Cu+]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC(=C3)C4=NC5=C(C=CC6=C5N=C(C=C6)C7=CC(=CC=C7)C(C8=CC=CC=C8)C9=CC=CC=C9)C=C4.C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC(=C3)C4=NC5=C(C=CC6=C5N=C(C=C6)C7=CC(=CC=C7)C(C8=CC=CC=C8)C9=CC=CC=C9)C=C4.[Cu+]

InChI

InChI=1S/2C50H36N2.Cu/c2*1-5-15-35(16-6-1)47(36-17-7-2-8-18-36)43-25-13-23-41(33-43)45-31-29-39-27-28-40-30-32-46(52-50(40)49(39)51-45)42-24-14-26-44(34-42)48(37-19-9-3-10-20-37)38-21-11-4-12-22-38;/h2*1-34,47-48H;/q;;+1