OT1
Summary
| Name: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole |
| Formula: | C19 H25 Cl2 Ir N2 |
| Formal charge: | null |
| Formula weight: | 544.538 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole |
| ACDLabs | 14.52 | dichlorido(1,3-dimethyl-2,3-dihydro-1H-1,3-benzimidazol-2-yl)[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]iridium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC12=C3(C)C4(C)=C5(C)C1(C)[Ir]2345(Cl)(Cl)C1N(C)c2ccccc2N1C |
| InChI | InChI | 1.06 | InChI=1S/C10H15.C9H11N2.2ClH.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;3-7H,1-2H3;2*1H;/q;;;;+2/p-2 |
| InChIKey | InChI | 1.06 | WPIGJPMWBCAIOG-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CN(C)c2ccccc12.CC3=C(C)C(C)([Ir](Cl)Cl)C(=C3C)C |
| SMILES | CACTVS | 3.385 | CN1CN(C)c2ccccc12.CC3=C(C)C(C)([Ir](Cl)Cl)C(=C3C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC12=C3([Ir]145(C2(=C4(C53C)C)C)([C]6N(c7ccccc7N6C)C)(Cl)Cl)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC12=C3([Ir]145(C2(=C4(C53C)C)C)([C]6N(c7ccccc7N6C)C)(Cl)Cl)C |
