C155H97N15 — CID 161196328
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 161196328) has the molecular formula C155H97N15 and a molecular weight of 2169.59 g/mol. Its IUPAC name is 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
| Compound Name | 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole |
|---|---|
| PubChem CID | 161196328 |
| Molecular Formula | C155H97N15 |
| Molecular Weight | 2169.59 g/mol |
| Exact Mass | 2167.81 |
| IUPAC Name | 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)nc(-c5ccc6ccccc6c5)n4)c32)cc1 |
| InChI | InChI=1S/2C53H33N5.C49H31N5/c1-2-17-40(18-3-1)58-48-24-11-8-19-42(48)44-21-12-22-45(50(44)58)53-55-51(54-52(56-53)39-26-25-34-13-4-5-14-36(34)31-39)35-27-29-41(30-28-35)57-47-23-10-9-20-43(47)46-32-37-15-6-7-16-38(37)33-49(46)57;1-2-16-41(17-3-1)57-47-20-10-8-18-43(47)45-29-26-40(33-49(45)57)53-55-51(54-52(56-53)39-23-22-34-12-4-5-13-36(34)30-39)35-24-27-42(28-25-35)58-48-21-11-9-19-44(48)46-31-37-14-6-7-15-38(37)32-50(46)58;1-3-14-32(15-4-1)47-50-48(52-49(51-47)40-22-13-25-44-46(40)39-21-10-12-24-43(39)53(44)36-18-5-2-6-19-36)33-26-28-37(29-27-33)54-42-23-11-9-20-38(42)41-30-34-16-7-8-17-35(34)31-45(41)54/h2*1-33H;1-31H |
| InChIKey | UUJSUMPJQGZLLJ-UHFFFAOYSA-N |
| XLogP | 38.97 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2169.59 |
| LogP ≤ 5 | 38.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |