C282H184Au4N26O3Pd6S — CID 158856304
2-[3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]benzene-2-id-1-yl]pyridine;2-[diphenyl-(1-phenylpyrazol-3-yl)methyl]-6-phenylpyridine;2-[3-[diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]-2H-pyrrol-2-id-1-yl]pyridine;tetrakis(gold(3+));hexakis(palladium(2+));1-phenyl-3-(3-phenylbenzene-2-id-1-yl)oxypyrazole;2-phenyl-6-[9-(1-phenylpyrazol-3-yl)fluoren-9-yl]pyridine;2-phenyl-6-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]pyridine;2-[3-[9-(1-phenylpyrazol-3-yl)fluoren-9-yl]benzene-2-id-1-yl]pyridine;2-[3-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]benzene-2-id-1-yl]pyridine;2-[3-[(1-phenyl-2H-pyrrol-2-id-3-yl)sulfanyl]benzene-2-id-1-yl]pyridine;2-[3-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2H-pyrrol-2-id-1-yl]pyridine (PubChem CID 158856304) has the molecular formula C282H184Au4N26O3Pd6S and a molecular weight of 5443.21 g/mol. Its IUPAC name is 2-[3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]benzene-2-id-1-yl]pyridine;2-[diphenyl-(1-phenylpyrazol-3-yl)methyl]-6-phenylpyridine;2-[3-[diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]-2H-pyrrol-2-id-1-yl]pyridine;tetrakis(gold(3+));hexakis(palladium(2+));1-phenyl-3-(3-phenylbenzene-2-id-1-yl)oxypyrazole;2-phenyl-6-[9-(1-phenylpyrazol-3-yl)fluoren-9-yl]pyridine;2-phenyl-6-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]pyridine;2-[3-[9-(1-phenylpyrazol-3-yl)fluoren-9-yl]benzene-2-id-1-yl]pyridine;2-[3-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]benzene-2-id-1-yl]pyridine;2-[3-[(1-phenyl-2H-pyrrol-2-id-3-yl)sulfanyl]benzene-2-id-1-yl]pyridine;2-[3-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2H-pyrrol-2-id-1-yl]pyridine.
| Compound Name | 2-[3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]benzene-2-id-1-yl]pyridine;2-[diphenyl-(1-phenylpyrazol-3-yl)methyl]-6-phenylpyridine;2-[3-[diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]-2H-pyrrol-2-id-1-yl]pyridine;tetrakis(gold(3+));hexakis(palladium(2+));1-phenyl-3-(3-phenylbenzene-2-id-1-yl)oxypyrazole;2-phenyl-6-[9-(1-phenylpyrazol-3-yl)fluoren-9-yl]pyridine;2-phenyl-6-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]pyridine;2-[3-[9-(1-phenylpyrazol-3-yl)fluoren-9-yl]benzene-2-id-1-yl]pyridine;2-[3-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]benzene-2-id-1-yl]pyridine;2-[3-[(1-phenyl-2H-pyrrol-2-id-3-yl)sulfanyl]benzene-2-id-1-yl]pyridine;2-[3-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2H-pyrrol-2-id-1-yl]pyridine |
|---|---|
| PubChem CID | 158856304 |
| Molecular Formula | C282H184Au4N26O3Pd6S |
| Molecular Weight | 5443.21 g/mol |
| Exact Mass | 5436.76 |
| IUPAC Name | 2-[3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]benzene-2-id-1-yl]pyridine;2-[diphenyl-(1-phenylpyrazol-3-yl)methyl]-6-phenylpyridine;2-[3-[diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]-2H-pyrrol-2-id-1-yl]pyridine;tetrakis(gold(3+));hexakis(palladium(2+));1-phenyl-3-(3-phenylbenzene-2-id-1-yl)oxypyrazole;2-phenyl-6-[9-(1-phenylpyrazol-3-yl)fluoren-9-yl]pyridine;2-phenyl-6-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]pyridine;2-[3-[9-(1-phenylpyrazol-3-yl)fluoren-9-yl]benzene-2-id-1-yl]pyridine;2-[3-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]benzene-2-id-1-yl]pyridine;2-[3-[(1-phenyl-2H-pyrrol-2-id-3-yl)sulfanyl]benzene-2-id-1-yl]pyridine;2-[3-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2H-pyrrol-2-id-1-yl]pyridine |
| SMILES | [Au+3].[Au+3].[Au+3].[Au+3].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1C(c1[c-]n(-c2ccccn2)cc1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1C1(c2[c-]n(-c3ccccn3)cc2)c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]n(-c3[c-]cccc3)cc2)cccc1-c1ccccn1.[c-]1c(Sc2[c-]n(-c3[c-]cccc3)cc2)cccc1-c1ccccn1.[c-]1ccccc1-c1[c-]c(Oc2ccn(-c3[c-]cccc3)n2)ccc1.[c-]1ccccc1-c1cccc(C(c2ccccc2)(c2ccccc2)c2ccn(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1cccc(C2(c3ccn(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1.[c-]1ccccc1-c1cccc(Oc2[c-]n(-c3[c-]cccc3)cc2)n1.[c-]1ccccc1-n1ccc(C(c2[c-]c(-c3ccccn3)ccc2)(c2ccccc2)c2ccccc2)n1.[c-]1ccccc1-n1ccc(C2(c3[c-]c(-c4ccccn4)ccc3)c3ccccc3-c3ccccc32)n1 |
| InChI | InChI=1S/3C33H21N3.3C33H23N3.3C21H13N2O.C21H13N2S.4Au.6Pd/c1-3-14-29-27(12-1)28-13-2-4-15-30(28)33(29,26-18-21-36(23-26)32-17-6-8-20-35-32)25-11-9-10-24(22-25)31-16-5-7-19-34-31;1-3-12-24(13-4-1)30-20-11-21-31(34-30)33(32-22-23-36(35-32)25-14-5-2-6-15-25)28-18-9-7-16-26(28)27-17-8-10-19-29(27)33;1-2-13-26(14-3-1)36-22-20-32(35-36)33(25-12-10-11-24(23-25)31-19-8-9-21-34-31)29-17-6-4-15-27(29)28-16-5-7-18-30(28)33;1-5-14-26(15-6-1)30-22-13-23-31(34-30)33(27-16-7-2-8-17-27,28-18-9-3-10-19-28)32-24-25-36(35-32)29-20-11-4-12-21-29;1-4-14-27(15-5-1)33(28-16-6-2-7-17-28,32-22-24-36(35-32)30-19-8-3-9-20-30)29-18-12-13-26(25-29)31-21-10-11-23-34-31;1-3-13-27(14-4-1)33(28-15-5-2-6-16-28,30-20-23-36(25-30)32-19-8-10-22-35-32)29-17-11-12-26(24-29)31-18-7-9-21-34-31;1-3-8-17(9-4-1)18-10-7-13-20(16-18)24-21-14-15-23(22-21)19-11-5-2-6-12-19;1-3-8-17(9-4-1)20-12-7-13-21(22-20)24-19-14-15-23(16-19)18-10-5-2-6-11-18;2*1-2-8-18(9-3-1)23-14-12-20(16-23)24-19-10-6-7-17(15-19)21-11-4-5-13-22-21;;;;;;;;;;/h1-21H;1-12,14,16-23H;1-13,15-22H;1-14,16-20,22-25H;1-19,21-24H;1-23H;1-8,10-11,13-15H;1-8,10,12-15H;2*1-8,10-14H;;;;;;;;;;/q6*-2;4*-3;4*+3;6*+2 |
| InChIKey | INIGSCWMLSMDHX-UHFFFAOYSA-N |
| XLogP | 60.71 |
| TPSA | 283.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 322 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5443.21 |
| LogP ≤ 5 | 60.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |