2-[2,3-bis(fluoranyl)benzene-5-id-1-yl]benzotriazole; iridium(3+); quinolin-8-olate

Systemtic Name: 2-[2,3-bis(fluoranyl)benzene-5-id-1-yl]benzotriazole; iridium(3+); quinolin-8-olate Openeye Name: 2-(2,3-difluorobenzene-5-id-1-yl)benzotriazole; iridium(3+); quinolin-8-olate CAS Name: 2-(2,3-difluoro-1-benzene-5-idyl)benzotriazole; iridium(3+); 8-quinolinolate IUPAC Name: 2-(2,3-difluorobenzene-5-id-1-yl)benzotriazole; iridium(3+); quinolin-8-olate Traditional Name: 2-(2,3-difluorobenzene-5-id-1-yl)benzotriazole; iridium(3+); quinolin-8-olate Formula: C33H18F4IrN7O MolecularWeight: 796.752933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)C3=C(C(=C[C-]=C3)F)F.C1=CC2=NN(N=C2C=C1)C3=C(C(=C[C-]=C3)F)F.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Ir+3]

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)C3=C(C(=C[C-]=C3)F)F.C1=CC2=NN(N=C2C=C1)C3=C(C(=C[C-]=C3)F)F.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Ir+3]

InChI

InChI=1S/2C12H6F2N3.C9H7NO.Ir/c2*13-8-4-3-7-11(12(8)14)17-15-9-5-1-2-6-10(9)16-17;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-2,4-7H;1-6,11H;/q2*-1;;+3/p-1