C181H111N15 — CID 162039291
1-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;6-benzo[b]carbazol-5-yl-5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 162039291) has the molecular formula C181H111N15 and a molecular weight of 2495.98 g/mol. Its IUPAC name is 1-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;6-benzo[b]carbazol-5-yl-5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
| Compound Name | 1-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;6-benzo[b]carbazol-5-yl-5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole |
|---|---|
| PubChem CID | 162039291 |
| Molecular Formula | C181H111N15 |
| Molecular Weight | 2495.98 g/mol |
| Exact Mass | 2493.91 |
| IUPAC Name | 1-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;6-benzo[b]carbazol-5-yl-5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7c(-n7c8ccccc8c8cc9ccccc9cc87)c65)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)cccc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)c4ccccc34)n2)cc1 |
| InChI | InChI=1S/2C61H37N5.C59H37N5/c1-2-18-39(19-3-1)59-62-60(48-30-16-23-38-17-6-8-24-43(38)48)64-61(63-59)49-33-34-54(46-27-11-10-26-45(46)49)65-53-32-15-13-29-50(53)57-56(65)37-42-22-7-9-25-44(42)58(57)66-52-31-14-12-28-47(52)51-35-40-20-4-5-21-41(40)36-55(51)66;1-2-16-39(17-3-1)59-62-60(45-30-29-38-15-4-5-18-40(38)33-45)64-61(63-59)49-31-32-53(47-24-11-10-23-46(47)49)66-55-28-14-27-54(58(55)51-35-42-20-7-9-22-44(42)37-57(51)66)65-52-26-13-12-25-48(52)50-34-41-19-6-8-21-43(41)36-56(50)65;1-3-16-38(17-4-1)41-23-15-24-45(34-41)59-61-57(39-18-5-2-6-19-39)60-58(62-59)40-30-32-46(33-31-40)63-52-28-13-12-27-49(52)51-36-44-22-9-10-25-47(44)55(56(51)63)64-53-29-14-11-26-48(53)50-35-42-20-7-8-21-43(42)37-54(50)64/h2*1-37H;1-37H |
| InChIKey | YXBDCGPHKJVTCV-UHFFFAOYSA-N |
| XLogP | 46.40 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2495.98 |
| LogP ≤ 5 | 46.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |