C156H104N16 — CID 161068654
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole (PubChem CID 161068654) has the molecular formula C156H104N16 and a molecular weight of 2202.66 g/mol. Its IUPAC name is 9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole.
| Compound Name | 9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole |
|---|---|
| PubChem CID | 161068654 |
| Molecular Formula | C156H104N16 |
| Molecular Weight | 2202.66 g/mol |
| Exact Mass | 2200.86 |
| IUPAC Name | 9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1 |
| InChI | InChI=1S/C51H34N4.C39H26N4.2C33H22N4/c1-3-11-35(12-4-1)37-19-23-39(24-20-37)41-27-31-43(32-28-41)49-52-50(54-51(53-49)55-47-17-9-7-15-45(47)46-16-8-10-18-48(46)55)44-33-29-42(30-34-44)40-25-21-38(22-26-40)36-13-5-2-6-14-36;1-4-12-27(13-5-1)31-22-25-36-34(26-31)33-18-10-11-19-35(33)43(36)32-23-20-30(21-24-32)39-41-37(28-14-6-2-7-15-28)40-38(42-39)29-16-8-3-9-17-29;1-4-13-23(14-5-1)26-20-12-22-29-30(26)27-19-10-11-21-28(27)37(29)33-35-31(24-15-6-2-7-16-24)34-32(36-33)25-17-8-3-9-18-25;1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-34H;1-26H;2*1-22H |
| InChIKey | UEJFLFFGWINFJA-UHFFFAOYSA-N |
| XLogP | 38.55 |
| TPSA | 174.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2202.66 |
| LogP ≤ 5 | 38.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |