C137H90N12 — CID 160854312
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole (PubChem CID 160854312) has the molecular formula C137H90N12 and a molecular weight of 1904.31 g/mol. Its IUPAC name is 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole.
| Compound Name | 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole |
|---|---|
| PubChem CID | 160854312 |
| Molecular Formula | C137H90N12 |
| Molecular Weight | 1904.31 g/mol |
| Exact Mass | 1902.74 |
| IUPAC Name | 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)cc4)cc3)n2)cc1 |
| InChI | InChI=1S/C53H34N4.C45H30N4.C39H26N4/c1-2-13-39(14-3-1)46-18-10-20-49-50(46)47-17-8-9-19-48(47)57(49)45-31-29-38(30-32-45)37-21-25-40(26-22-37)51-54-52(43-27-23-35-11-4-6-15-41(35)33-43)56-53(55-51)44-28-24-36-12-5-7-16-42(36)34-44;1-4-13-33(14-5-1)38-20-12-21-40-39-19-10-11-22-41(39)49(42(38)40)37-29-27-32(28-30-37)31-23-25-36(26-24-31)45-47-43(34-15-6-2-7-16-34)46-44(48-45)35-17-8-3-9-18-35;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/h1-34H;1-30H;1-26H |
| InChIKey | SJRBILXRBUCCOG-UHFFFAOYSA-N |
| XLogP | 34.55 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1904.31 |
| LogP ≤ 5 | 34.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |