TL;DR: Carbonyldichlorohydrobis(triphenylphosphine)iridium (CAS 17000-10-1) is a chemical compound with molecular formula C37H31Cl2IrOP2 and molecular weight 816.08563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
carbon monoxide;hydride;iridium(3+);bis(triphenylphosphane);dichloride
Also Known As: Carbonyldichlorohydrobis(triphenylphosphine)iridium, Iridium, carbonyldichlorohydrobis(triphenylphosphine)-, EINECS 241-078-8
| Molecular Formula | C37H31Cl2IrOP2 |
| Molecular Weight | 816.08563 g/mol |
| XLogP | 0.97 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 816.08563 Da |
| Heavy Atoms | 43 |
| Complexity | 214.0 |
| SMILES | [H-].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Ir+3] |
| InChIKey | GIXFMNDNEGNKDC-UHFFFAOYSA-L |
The XLogP value of 0.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonyldichlorohydrobis(triphenylphosphine)iridium. With a topological polar surface area (TPSA) of 1.0 Ų, Carbonyldichlorohydrobis(triphenylphosphine)iridium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonyldichlorohydrobis(triphenylphosphine)iridium has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbonyldichlorohydrobis(triphenylphosphine)iridium is 17000-10-1.
The molecular formula of Carbonyldichlorohydrobis(triphenylphosphine)iridium is C37H31Cl2IrOP2.
The molecular weight of Carbonyldichlorohydrobis(triphenylphosphine)iridium is 816.08563 g/mol.
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