C141H90N12 — CID 162150262
9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole (PubChem CID 162150262) has the molecular formula C141H90N12 and a molecular weight of 1952.35 g/mol. Its IUPAC name is 9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole.
| Compound Name | 9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole |
|---|---|
| PubChem CID | 162150262 |
| Molecular Formula | C141H90N12 |
| Molecular Weight | 1952.35 g/mol |
| Exact Mass | 1950.74 |
| IUPAC Name | 9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)cc1 |
| InChI | InChI=1S/C51H32N4.C47H30N4.C43H28N4/c1-2-12-33(13-3-1)38-26-28-48-45(32-38)43-20-10-11-21-46(43)55(48)47-29-27-44(41-18-8-9-19-42(41)47)51-53-49(39-24-22-34-14-4-6-16-36(34)30-39)52-50(54-51)40-25-23-35-15-5-7-17-37(35)31-40;1-3-13-31(14-4-1)35-25-27-44-41(30-35)39-21-11-12-22-42(39)51(44)43-28-26-40(37-19-9-10-20-38(37)43)47-49-45(33-16-5-2-6-17-33)48-46(50-47)36-24-23-32-15-7-8-18-34(32)29-36;1-4-14-29(15-5-1)32-24-26-40-37(28-32)35-22-12-13-23-38(35)47(40)39-27-25-36(33-20-10-11-21-34(33)39)43-45-41(30-16-6-2-7-17-30)44-42(46-43)31-18-8-3-9-19-31/h1-32H;1-30H;1-28H |
| InChIKey | ZLCMHBGTXKOYMQ-UHFFFAOYSA-N |
| XLogP | 35.83 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1952.35 |
| LogP ≤ 5 | 35.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |