O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(O)c2n1.[Ir+3].c1ccc(-c2nc3ccccc3s2)cc1.c1ccc(-c2nc3ccccc3s2)cc1
SMILES: O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(O)c2n1.[Ir+3].c1ccc(-c2nc3ccccc3s2)cc1.c1ccc(-c2nc3ccccc3s2)cc1

Molecular Processing

Molecular formula
C56H36IrN5O9S2
Molecular weight
1179.28
Exact mass
1179.1584
XLogP
8.84
TPSA
245.53
H-bond donors
3
H-bond acceptors
16
Rotatable bonds
5
Heavy atoms
73
Rings
12
Aromatic rings
12
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
6
Fraction Csp3
0
Molar refractivity
273.33

Supplementary Information

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