C259H166N28 — CID 163423215
10-[2,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine;9-[2,3-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile;2-[3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile (PubChem CID 163423215) has the molecular formula C259H166N28 and a molecular weight of 3670.37 g/mol. Its IUPAC name is 10-[2,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine;9-[2,3-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile;2-[3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile.
| Compound Name | 10-[2,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine;9-[2,3-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile;2-[3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile |
|---|---|
| PubChem CID | 163423215 |
| Molecular Formula | C259H166N28 |
| Molecular Weight | 3670.37 g/mol |
| Exact Mass | 3667.39 |
| IUPAC Name | 10-[2,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine;9-[2,3-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile;2-[3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile |
| SMILES | CC1(C)c2ccccc2N(c2c(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ccccc32)c2ccccc21.N#Cc1cc(C#N)cc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc3ccccc23)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3)cc2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5c4)c3)n2)cc1 |
| InChI | InChI=1S/C63H40N6.C60H42N6.C52H34N6.C45H27N5.C39H23N5/c1-3-19-42(20-4-1)61-64-62(43-21-5-2-6-22-43)66-63(65-61)44-37-35-41(36-38-44)45-39-58(67-52-29-13-7-23-46(52)47-24-8-14-30-53(47)67)60(69-56-33-17-11-27-50(56)51-28-12-18-34-57(51)69)59(40-45)68-54-31-15-9-25-48(54)49-26-10-16-32-55(49)68;1-60(2)46-29-13-19-35-52(46)66(53-36-20-14-30-47(53)60)56-54(64-48-31-15-9-25-42(48)43-26-10-16-32-49(43)64)37-41(38-55(56)65-50-33-17-11-27-44(50)45-28-12-18-34-51(45)65)59-62-57(39-21-5-3-6-22-39)61-58(63-59)40-23-7-4-8-24-40;1-5-15-36(16-6-1)47-53-48(37-17-7-2-8-18-37)56-51(55-47)44-25-13-23-40(31-44)42-29-27-35-28-30-43(34-46(35)33-42)41-24-14-26-45(32-41)52-57-49(38-19-9-3-10-20-38)54-50(58-52)39-21-11-4-12-22-39;1-47-42-25-30(29-46)24-40(28-42)33-14-12-31(13-15-33)38-22-18-34-19-23-39(27-41(34)26-38)32-16-20-37(21-17-32)45-49-43(35-8-4-2-5-9-35)48-44(50-45)36-10-6-3-7-11-36;40-24-26-19-27(25-41)21-34(20-26)36-23-33(22-32-13-7-8-14-35(32)36)28-15-17-31(18-16-28)39-43-37(29-9-3-1-4-10-29)42-38(44-39)30-11-5-2-6-12-30/h1-40H;3-38H,1-2H3;1-34H;2-28H;1-23H |
| InChIKey | AKGRQUHSQLSHNB-UHFFFAOYSA-N |
| XLogP | 64.11 |
| TPSA | 335.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 287 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3670.37 |
| LogP ≤ 5 | 64.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |