3,3-dimethyl-1-phenyl-phenanthro[9,10-c]pyrrole; iridium; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: 3,3-dimethyl-1-phenyl-phenanthro[9,10-c]pyrrole; iridium; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: 3,3-dimethyl-1-phenyl-phenanthro[9,10-c]pyrrole; (Z)-4-hydroxypent-3-en-2-one; iridium CAS Name: 3,3-dimethyl-1-phenylphenanthro[9,10-c]pyrrole; (Z)-4-hydroxy-3-penten-2-one; iridium IUPAC Name: 3,3-dimethyl-1-phenylphenanthro[9,10-c]pyrrole; (Z)-4-hydroxypent-3-en-2-one; iridium Traditional Name: 3,3-dimethyl-1-phenyl-phenanthro[9,10-c]pyrrole; (Z)-4-hydroxypent-3-en-2-one; iridium Formula: C29H26IrNO2- MolecularWeight: 612.73924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.CC1(C2=C(C3=CC=CC=C3C4=CC=CC=C42)C(=N1)C5=CC=CC=[C-]5)C.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.CC1(C2=C(C3=CC=CC=C3C4=CC=CC=C42)C(=N1)C5=CC=CC=[C-]5)C.[Ir]

InChI

InChI=1S/C24H18N.C5H8O2.Ir/c1-24(2)22-20-15-9-7-13-18(20)17-12-6-8-14-19(17)21(22)23(25-24)16-10-4-3-5-11-16;1-4(6)3-5(2)7;/h3-10,12-15H,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-;