C224H163N27 — CID 157345088
5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (PubChem CID 157345088) has the molecular formula C224H163N27 and a molecular weight of 3232.96 g/mol. Its IUPAC name is 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.
| Compound Name | 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine |
|---|---|
| PubChem CID | 157345088 |
| Molecular Formula | C224H163N27 |
| Molecular Weight | 3232.96 g/mol |
| Exact Mass | 3230.36 |
| IUPAC Name | 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine |
| SMILES | CC(C)(C)c1cc(-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(C)(C)C)c1.Cc1cc(C)c(-c2cc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C79H63N9.C74H53N9.C71H47N9/c1-78(2,3)59-47-58(48-60(49-59)79(4,5)6)71-61(64-50-62(52-29-13-7-14-30-52)80-73(82-64)54-33-17-9-18-34-54)45-46-70(72(71)65-51-63(53-31-15-8-16-32-53)81-74(83-65)55-35-19-10-20-36-55)87-66-41-25-27-43-68(66)88(69-44-28-26-42-67(69)87)77-85-75(56-37-21-11-22-38-56)84-76(86-77)57-39-23-12-24-40-57;1-48-42-49(2)69(50(3)43-48)58-45-68(82-64-38-22-24-40-66(64)83(67-41-25-23-39-65(67)82)74-80-72(55-34-18-8-19-35-55)79-73(81-74)56-36-20-9-21-37-56)59(63-47-61(52-28-12-5-13-29-52)76-71(78-63)54-32-16-7-17-33-54)44-57(58)62-46-60(51-26-10-4-11-27-51)75-70(77-62)53-30-14-6-15-31-53;1-8-26-48(27-9-1)56-44-55(60-46-58(49-28-10-2-11-29-49)72-67(74-60)51-32-14-4-15-33-51)45-57(61-47-59(50-30-12-3-13-31-50)73-68(75-61)52-34-16-5-17-35-52)66(56)79-62-40-22-24-42-64(62)80(65-43-25-23-41-63(65)79)71-77-69(53-36-18-6-19-37-53)76-70(78-71)54-38-20-7-21-39-54/h7-51H,1-6H3;4-47H,1-3H3;1-47H |
| InChIKey | BGWBGULNSQLWNE-UHFFFAOYSA-N |
| XLogP | 56.64 |
| TPSA | 290.13 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 251 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3232.96 |
| LogP ≤ 5 | 56.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |