C214H154N12 — CID 157478777
9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-(2-methylpropyl)carbazole;9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole;9-[4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole (PubChem CID 157478777) has the molecular formula C214H154N12 and a molecular weight of 2893.67 g/mol. Its IUPAC name is 9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-(2-methylpropyl)carbazole;9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole;9-[4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole.
| Compound Name | 9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-(2-methylpropyl)carbazole;9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole;9-[4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole |
|---|---|
| PubChem CID | 157478777 |
| Molecular Formula | C214H154N12 |
| Molecular Weight | 2893.67 g/mol |
| Exact Mass | 2891.24 |
| IUPAC Name | 9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-(2-methylpropyl)carbazole;9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole;9-[4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole |
| SMILES | CC(C)Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C4(c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.CC(C)Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.CC(C)Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C76H54N4.C70H50N4.C68H50N4/c1-49(2)45-50-23-25-55(26-24-50)59-37-44-72-68(48-59)67-19-9-12-22-71(67)80(72)64-42-35-54(36-43-64)53-31-38-62(39-32-53)76(69-20-10-7-17-65(69)66-18-8-11-21-70(66)76)63-40-33-56(34-41-63)73-77-74(60-29-27-51-13-3-5-15-57(51)46-60)79-75(78-73)61-30-28-52-14-4-6-16-58(52)47-61;1-45(2)41-46-23-40-66-62(42-46)61-19-9-12-22-65(61)74(66)58-38-32-50(33-39-58)49-28-34-56(35-29-49)70(63-20-10-7-17-59(63)60-18-8-11-21-64(60)70)57-36-30-51(31-37-57)67-71-68(54-26-24-47-13-3-5-15-52(47)43-54)73-69(72-67)55-27-25-48-14-4-6-16-53(48)44-55;1-45(2)43-46-25-27-49(28-26-46)53-35-42-64-60(44-53)59-21-11-14-24-63(59)72(64)56-40-33-48(34-41-56)47-29-36-54(37-30-47)68(61-22-12-9-19-57(61)58-20-10-13-23-62(58)68)55-38-31-52(32-39-55)67-70-65(50-15-5-3-6-16-50)69-66(71-67)51-17-7-4-8-18-51/h3-44,46-49H,45H2,1-2H3;3-40,42-45H,41H2,1-2H3;3-42,44-45H,43H2,1-2H3 |
| InChIKey | BVXKETNDLJSVPB-UHFFFAOYSA-N |
| XLogP | 53.54 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 226 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2893.67 |
| LogP ≤ 5 | 53.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |