iridium(3+); 2-[3-(2,3,4,5-tetraphenylphenyl)benzene-5-id-1-yl]pyridine

Systemtic Name: iridium(3+); 2-[3-(2,3,4,5-tetraphenylphenyl)benzene-5-id-1-yl]pyridine Openeye Name: iridium(3+); 2-[3-(2,3,4,5-tetraphenylphenyl)benzene-5-id-1-yl]pyridine CAS Name: iridium(3+); 2-[3-(2,3,4,5-tetraphenylphenyl)-1-benzene-5-idyl]pyridine IUPAC Name: iridium(3+); 2-[3-(2,3,4,5-tetraphenylphenyl)benzene-5-id-1-yl]pyridine Traditional Name: iridium(3+); 2-[3-(2,3,4,5-tetraphenylphenyl)benzene-5-id-1-yl]pyridine Formula: C123H84IrN3 MolecularWeight: 1796.22016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC(=C[C-]=C3)C4=CC=CC=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC(=C[C-]=C3)C4=CC=CC=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC(=C[C-]=C3)C4=CC=CC=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC(=C[C-]=C3)C4=CC=CC=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC(=C[C-]=C3)C4=CC=CC=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC(=C[C-]=C3)C4=CC=CC=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[Ir+3]

InChI

InChI=1S/3C41H28N.Ir/c3*1-5-16-30(17-6-1)36-29-37(34-24-15-25-35(28-34)38-26-13-14-27-42-38)40(32-20-9-3-10-21-32)41(33-22-11-4-12-23-33)39(36)31-18-7-2-8-19-31;/h3*1-14,16-29H;/q3*-1;+3