R0I
Summary
| Name: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene] |
| Formula: | C24 H28 N7 Pt |
| Formal charge: | null |
| Formula weight: | 609.604 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene] |
| ACDLabs | 14.52 | [(1R,10S)-2,9-dimethyl-1,10-phenanthroline-1,10-diido-kappa~2~N~1~,N~10~][(2S,4P)-1,3-dimethyl-4-(1H-1,2,3-triazol-5-yl)-2,3-dihydro-1H-imidazol-2-yl](eta~2~-ethene)methylplatinum(2+) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc2ccc3ccc(C)n4c3c2n1[Pt+2]14(C)([cH2][cH2]1)C1N(C)C=C(N1C)c1cnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2.C7H10N5.C2H4.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-11-4-7(12(2)5-11)6-3-8-10-9-6;1-2;;/h3-8H,1-2H3;3-5H,1-2H3,(H,8,9,10);1-2H2;1H3;/q-2;;;;+4 |
| InChIKey | InChI | 1.06 | XRNFAGLFGFTKHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CN(C)C(=C1)c2[nH]nnc2.C[Pt++]3N4C(=CC=C5C=CC6=CC=C(C)N3C6=C45)C.C=C |
| SMILES | CACTVS | 3.385 | CN1CN(C)C(=C1)c2[nH]nnc2.C[Pt++]3N4C(=CC=C5C=CC6=CC=C(C)N3C6=C45)C.C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1=CC=C2C=CC3=CC=C(N4C3=C2N1[Pt+2]45([CH2]=[CH2]5)(C)[C]6N(C=C(N6C)c7cnn[nH]7)C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1=CC=C2C=CC3=CC=C(N4C3=C2N1[Pt+2]45([CH2]=[CH2]5)(C)[C]6N(C=C(N6C)c7cnn[nH]7)C)C |
