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bis(2-phenylpyridine) [2,2'-bipyridine]-4-carboxylic acid iridium chloride

bis(2-phenylpyridine) [2,2'-bipyridine]-4-carboxylic acid iridium chloride

Formula: C33H26ClIrN4O2

SMILES: [Cl-].[Ir].C1=CC=C(C=C1)C1=CC=CC=N1.C1=CC=C(C=C1)C1=CC=CC=N1.OC(=O)C1=CC(=NC=C1)C1=CC=CC=N1

IUPAC: bis(2-phenylpyridine) [2,2'-bipyridine]-4-carboxylic acid iridium chloride

InChI: InChI=1S/C11H8N2O2.2C11H9N.ClH.Ir/c14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-7H,(H,14,15);2*1-9H;1H;/p-1

Composition: C (53.69%), H (3.55%), Cl (4.80%), Ir (26.04%), N (7.59%), O (4.33%)

Molar Mass: 738.26

Atom Count: 67

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 738.137899
Formal Charge -1
FSP3 0
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LSHAHSMUNHBXLH-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 53.39
Topological Polar Surface Area 63.08
Polarizability 21.81
Ring Count 6
Rotatable Bond Count 4

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