C156H86N34O4S4Te3 — CID 157224654
2-[4-[3,5-bis[4-([1,3]tellurazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]tellurazolo[5,4-b]pyridine;3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,5-tris([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 157224654) has the molecular formula C156H86N34O4S4Te3 and a molecular weight of 3011.71 g/mol. Its IUPAC name is 2-[4-[3,5-bis[4-([1,3]tellurazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]tellurazolo[5,4-b]pyridine;3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,5-tris([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.
| Compound Name | 2-[4-[3,5-bis[4-([1,3]tellurazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]tellurazolo[5,4-b]pyridine;3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,5-tris([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine |
|---|---|
| PubChem CID | 157224654 |
| Molecular Formula | C156H86N34O4S4Te3 |
| Molecular Weight | 3011.71 g/mol |
| Exact Mass | 3016.36 |
| IUPAC Name | 2-[4-[3,5-bis[4-([1,3]tellurazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]tellurazolo[5,4-b]pyridine;3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,5-tris([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine |
| SMILES | c1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3-c3nc4cccnc4n3-c3ccccc3)nc3cccnc32)cc1.c1cnc2[te]c(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7[te]6)cc5)cc(-c5ccc(-c6nc7cccnc7[te]6)cc5)c4)cc3)nc2c1.c1cnc2oc(-c3cc(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)cc3-c3nc4cccnc4o3)nc2c1.c1cnc2sc(-c3cc(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)cc3-c3nc4cccnc4s3)nc2c1 |
| InChI | InChI=1S/C54H34N12.C42H24N6Te3.C30H14N8O4.C30H14N8S4/c1-5-17-35(18-6-1)63-47(59-43-25-13-29-55-51(43)63)39-33-41(49-61-45-27-15-31-57-53(45)65(49)37-21-9-3-10-22-37)42(50-62-46-28-16-32-58-54(46)66(50)38-23-11-4-12-24-38)34-40(39)48-60-44-26-14-30-56-52(44)64(48)36-19-7-2-8-20-36;1-4-34-40(43-19-1)49-37(46-34)28-13-7-25(8-14-28)31-22-32(26-9-15-29(16-10-26)38-47-35-5-2-20-44-41(35)50-38)24-33(23-31)27-11-17-30(18-12-27)39-48-36-6-3-21-45-42(36)51-39;2*1-5-19-27(31-9-1)39-23(35-19)15-13-17(25-37-21-7-3-11-33-29(21)41-25)18(26-38-22-8-4-12-34-30(22)42-26)14-16(15)24-36-20-6-2-10-32-28(20)40-24/h1-34H;1-24H;2*1-14H |
| InChIKey | ATKBZKNLAFSEMB-UHFFFAOYSA-N |
| XLogP | 34.85 |
| TPSA | 458.98 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3011.71 |
| LogP ≤ 5 | 34.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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