C216H142N30 — CID 161255195
5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]-10-(4,6-diphenylpyrimidin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (PubChem CID 161255195) has the molecular formula C216H142N30 and a molecular weight of 3157.72 g/mol. Its IUPAC name is 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]-10-(4,6-diphenylpyrimidin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.
| Compound Name | 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]-10-(4,6-diphenylpyrimidin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine |
|---|---|
| PubChem CID | 161255195 |
| Molecular Formula | C216H142N30 |
| Molecular Weight | 3157.72 g/mol |
| Exact Mass | 3155.20 |
| IUPAC Name | 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]-10-(4,6-diphenylpyrimidin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3c(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4)cc3N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4N(c4cc(-c5ccccc5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5ccccc5)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C76H50N10.2C70H46N10/c1-9-29-51(30-10-1)59-49-66(85-62-45-25-27-47-64(62)86(65-48-28-26-46-63(65)85)76-77-60(52-31-11-2-12-32-52)50-61(78-76)53-33-13-3-14-34-53)69(75-83-72(57-41-21-7-22-42-57)80-73(84-75)58-43-23-8-24-44-58)67(54-35-15-4-16-36-54)68(59)74-81-70(55-37-17-5-18-38-55)79-71(82-74)56-39-19-6-20-40-56;1-8-26-47(27-9-1)54-45-63(79-59-40-22-24-42-61(59)80(62-43-25-23-41-60(62)79)70-77-66(52-36-18-6-19-37-52)74-67(78-70)53-38-20-7-21-39-53)56(69-71-57(48-28-10-2-11-29-48)46-58(72-69)49-30-12-3-13-31-49)44-55(54)68-75-64(50-32-14-4-15-33-50)73-65(76-68)51-34-16-5-17-35-51;1-8-26-47(27-9-1)55-46-56(48-28-10-2-11-29-48)72-69(71-55)63-61(45-44-54(62(63)49-30-12-3-13-31-49)68-75-64(50-32-14-4-15-33-50)73-65(76-68)51-34-16-5-17-35-51)79-57-40-22-24-42-59(57)80(60-43-25-23-41-58(60)79)70-77-66(52-36-18-6-19-37-52)74-67(78-70)53-38-20-7-21-39-53/h1-50H;2*1-46H |
| InChIKey | VBUXBAAYVOXURQ-UHFFFAOYSA-N |
| XLogP | 52.97 |
| TPSA | 328.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 246 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3157.72 |
| LogP ≤ 5 | 52.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |