C214H164N16O10 — CID 160670284
4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;3-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;4-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;2-methyl-4-[4-[2,4,5-tris[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 160670284) has the molecular formula C214H164N16O10 and a molecular weight of 3119.77 g/mol. Its IUPAC name is 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;3-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;4-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;2-methyl-4-[4-[2,4,5-tris[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine.
| Compound Name | 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;3-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;4-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;2-methyl-4-[4-[2,4,5-tris[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine |
|---|---|
| PubChem CID | 160670284 |
| Molecular Formula | C214H164N16O10 |
| Molecular Weight | 3119.77 g/mol |
| Exact Mass | 3117.28 |
| IUPAC Name | 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;3-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;4-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;2-methyl-4-[4-[2,4,5-tris[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine |
| SMILES | COc1c(-c2ccc(-c3ccncc3)cc2)c(-c2ccc(-c3ccncc3)cc2)c(OC)c(-c2ccc(-c3ccncc3)cc2)c1-c1ccc(-c2ccncc2)cc1.COc1cc(-c2cc(-c3ccc(-c4cccnc4)c(OC)c3)c(-c3ccc(-c4cccnc4)c(OC)c3)cc2-c2ccc(-c3cccnc3)c(OC)c2)ccc1-c1cccnc1.COc1cc(-c2cc(-c3ccc(-c4ccncc4)c(OC)c3)c(-c3ccc(-c4ccncc4)c(OC)c3)cc2-c2ccc(-c3ccncc3)c(OC)c2)ccc1-c1ccncc1.Cc1cc(-c2ccc(-c3cc(-c4ccc(-c5ccnc(C)c5)cc4)c(-c4ccc(-c5ccnc(C)c5)cc4)cc3-c3ccc(-c4ccnc(C)c4)cc3)cc2)ccn1 |
| InChI | InChI=1S/2C54H42N4O4.C54H42N4.C52H38N4O2/c1-59-51-29-39(5-9-43(51)35-13-21-55-22-14-35)47-33-49(41-7-11-45(53(31-41)61-3)37-17-25-57-26-18-37)50(42-8-12-46(54(32-42)62-4)38-19-27-58-28-20-38)34-48(47)40-6-10-44(52(30-40)60-2)36-15-23-56-24-16-36;1-59-51-25-35(13-17-43(51)39-9-5-21-55-31-39)47-29-49(37-15-19-45(53(27-37)61-3)41-11-7-23-57-33-41)50(38-16-20-46(54(28-38)62-4)42-12-8-24-58-34-42)30-48(47)36-14-18-44(52(26-36)60-2)40-10-6-22-56-32-40;1-35-29-47(21-25-55-35)39-5-13-43(14-6-39)51-33-53(45-17-9-41(10-18-45)49-23-27-57-37(3)31-49)54(46-19-11-42(12-20-46)50-24-28-58-38(4)32-50)34-52(51)44-15-7-40(8-16-44)48-22-26-56-36(2)30-48;1-57-51-47(43-11-3-35(4-12-43)39-19-27-53-28-20-39)49(45-15-7-37(8-16-45)41-23-31-55-32-24-41)52(58-2)50(46-17-9-38(10-18-46)42-25-33-56-34-26-42)48(51)44-13-5-36(6-14-44)40-21-29-54-30-22-40/h2*5-34H,1-4H3;5-34H,1-4H3;3-34H,1-2H3 |
| InChIKey | RMVMNWQLJXGGKY-UHFFFAOYSA-N |
| XLogP | 51.73 |
| TPSA | 298.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3119.77 |
| LogP ≤ 5 | 51.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |