2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; (2-diphenylphosphaniumylphenyl)-diphenyl-phosphanium; iridium

Systemtic Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; (2-diphenylphosphaniumylphenyl)-diphenyl-phosphanium; iridium Openeye Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; (2-diphenylphosphaniumylphenyl)-diphenyl-phosphonium; iridium CAS Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; (2-diphenylphosphiniumylphenyl)-diphenylphosphonium; iridium IUPAC Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; (2-diphenylphosphaniumylphenyl)-diphenylphosphanium; iridium Traditional Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; (2-diphenylphosphiniumylphenyl)-diphenyl-phosphonium; iridium Formula: C45H35IrN2O2P2+ MolecularWeight: 889.936122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3[PH+](C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C2C(=C1)[N-]C(=CC3=NC4=CC=CC=C4O3)O2.[Ir]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3[PH+](C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C2C(=C1)[N-]/C(=C\C3=NC4=CC=CC=C4O3)/O2.[Ir]

InChI

InChI=1S/C30H24P2.C15H9N2O2.Ir/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;/h1-24H;1-9H;/q;-1;/p+2/b;14-9+;