C159H111F4Ir3N19O2Pt+ — CID 158561517
2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;bis(2,6-di(phenyl)pyridine);2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(3,4,5-triphenyl-3H-pyrazol-2-ium-2-yl)benzene-2-id-1-yl]imidazole (PubChem CID 158561517) has the molecular formula C159H111F4Ir3N19O2Pt+ and a molecular weight of 3167.49 g/mol. Its IUPAC name is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;bis(2,6-di(phenyl)pyridine);2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(3,4,5-triphenyl-3H-pyrazol-2-ium-2-yl)benzene-2-id-1-yl]imidazole.
| Compound Name | 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;bis(2,6-di(phenyl)pyridine);2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(3,4,5-triphenyl-3H-pyrazol-2-ium-2-yl)benzene-2-id-1-yl]imidazole |
|---|---|
| PubChem CID | 158561517 |
| Molecular Formula | C159H111F4Ir3N19O2Pt+ |
| Molecular Weight | 3167.49 g/mol |
| Exact Mass | 3167.76 |
| IUPAC Name | 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;bis(2,6-di(phenyl)pyridine);2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(3,4,5-triphenyl-3H-pyrazol-2-ium-2-yl)benzene-2-id-1-yl]imidazole |
| SMILES | Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)ccc2)n1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Oc1ccccc1-c1nc2c3nc(-c4ccccc4O)n(-c4ccccc4)c3ccc2n1-c1ccccc1.[Ir+3].[Ir+3].[Ir+3].[Pt].[c-]1c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cccc1[N+]1=NC(c2ccccc2)=C(c2ccccc2)C1c1ccccc1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1 |
| InChI | InChI=1S/C48H34N4.C32H22N4O2.C17H7F4N.2C17H11N.C16H17N4.C12H9N4.3Ir.Pt/c1-7-20-35(21-8-1)43-44(36-22-9-2-10-23-36)50-52(46(43)38-26-13-4-14-27-38)42-33-19-30-40(34-42)48-49-45(37-24-11-3-12-25-37)47(39-28-15-5-16-29-39)51(48)41-31-17-6-18-32-41;37-27-17-9-7-15-23(27)31-33-29-25(35(31)21-11-3-1-4-12-21)19-20-26-30(29)34-32(24-16-8-10-18-28(24)38)36(26)22-13-5-2-6-14-22;18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-11-8-13(3)19(17-11)15-6-5-7-16(10-15)20-14(4)9-12(2)18-20;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;/h1-33,46H;1-20,37-38H;1-5,8-9H;2*1-8,10,12-13H;5-9H,1-4H3;1-9H;;;;/q;;3*-2;2*-1;3*+3; |
| InChIKey | VWGDUGCJLITGTG-UHFFFAOYSA-N |
| XLogP | 36.75 |
| TPSA | 219.24 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3167.49 |
| LogP ≤ 5 | 36.75 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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