C293H203N13 — CID 158423872
4-[2-[4-(3,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyridine;2-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[2-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[4-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine;4-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine (PubChem CID 158423872) has the molecular formula C293H203N13 and a molecular weight of 3905.94 g/mol. Its IUPAC name is 4-[2-[4-(3,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyridine;2-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[2-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[4-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine;4-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine.
| Compound Name | 4-[2-[4-(3,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyridine;2-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[2-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[4-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine;4-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine |
|---|---|
| PubChem CID | 158423872 |
| Molecular Formula | C293H203N13 |
| Molecular Weight | 3905.94 g/mol |
| Exact Mass | 3902.63 |
| IUPAC Name | 4-[2-[4-(3,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyridine;2-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[2-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[4-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine;4-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cccc(-c5ccccc5-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccncc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3ccccc3-c3ccccc3-c3cc(-c4ccncc4)nc(-c4ccccc4)n3)c2)cc1 |
| InChI | InChI=1S/C53H37N.2C51H35N3.C47H33N.C46H32N2.C45H31N3/c1-5-16-38(17-6-1)46-33-47(39-18-7-2-8-19-39)35-48(34-46)41-30-28-40(29-31-41)44-24-15-25-45(32-44)50-26-13-14-27-51(50)49-36-52(42-20-9-3-10-21-42)54-53(37-49)43-22-11-4-12-23-43;1-5-14-36(15-6-1)46-33-47(37-16-7-2-8-17-37)35-48(34-46)41-30-26-39(27-31-41)38-24-28-40(29-25-38)44-22-13-23-45(32-44)51-53-49(42-18-9-3-10-19-42)52-50(54-51)43-20-11-4-12-21-43;1-4-16-36(17-5-1)40-32-41(37-18-6-2-7-19-37)34-42(33-40)43-22-10-11-23-44(43)45-24-12-13-25-46(45)47-26-14-15-27-48(47)50-35-49(38-28-30-52-31-29-38)53-51(54-50)39-20-8-3-9-21-39;1-5-15-34(16-6-1)40-29-41(35-17-7-2-8-18-35)31-42(30-40)36-25-27-37(28-26-36)44-23-13-14-24-45(44)43-32-46(38-19-9-3-10-20-38)48-47(33-43)39-21-11-4-12-22-39;1-5-16-33(17-6-1)39-29-40(34-18-7-2-8-19-34)31-41(30-39)37-24-15-25-38(28-37)42-26-13-14-27-43(42)46-47-44(35-20-9-3-10-21-35)32-45(48-46)36-22-11-4-12-23-36;1-4-14-32(15-5-1)36-28-37(33-16-6-2-7-17-33)30-38(29-36)39-20-10-11-21-40(39)41-22-12-13-23-42(41)44-31-43(34-24-26-46-27-25-34)47-45(48-44)35-18-8-3-9-19-35/h1-37H;2*1-35H;1-33H;1-32H;1-31H |
| InChIKey | HAUUBMBWYUGTLY-UHFFFAOYSA-N |
| XLogP | 77.27 |
| TPSA | 167.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 306 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3905.94 |
| LogP ≤ 5 | 77.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |