OT1
Summary
| Name: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole |
| Formula: | C19 H25 Cl Ir N2 |
| Formal charge: | 0 |
| Formula weight: | 509.085 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15.C9H10N2.ClH.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-10-7-11(2)9-6-4-3-5-8(9)10;;/h1-5H3;3-6H,1-2H3;1H;/q;;;+1/p-1 |
| InChIKey | InChI | 1.03 | FEMPBTXZISTUOL-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1C(C)C(C)C(C)C1C.Cn2c([Ir]Cl)[n](C)c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC1C(C)C(C)C(C)C1C.Cn2c([Ir]Cl)[n](C)c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C |
