C153H105N15 — CID 160661977
2-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;3-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;4-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline (PubChem CID 160661977) has the molecular formula C153H105N15 and a molecular weight of 2153.63 g/mol. Its IUPAC name is 2-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;3-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;4-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline.
| Compound Name | 2-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;3-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;4-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline |
|---|---|
| PubChem CID | 160661977 |
| Molecular Formula | C153H105N15 |
| Molecular Weight | 2153.63 g/mol |
| Exact Mass | 2151.87 |
| IUPAC Name | 2-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;3-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;4-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline |
| SMILES | c1ccc(-c2ccccc2-c2nc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2ccccc2-c2nc(-c3cccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2ccccc2-c2nc(-c3cccc(-c4ccccc4N(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/3C51H35N5/c1-4-19-36(20-5-1)41-27-10-11-31-45(41)50-52-49(53-51(54-50)56-47-33-16-13-29-43(47)44-30-14-17-34-48(44)56)38-22-18-21-37(35-38)42-28-12-15-32-46(42)55(39-23-6-2-7-24-39)40-25-8-3-9-26-40;1-4-18-36(19-5-1)43-28-10-11-31-46(43)50-52-49(53-51(54-50)56-47-32-14-12-29-44(47)45-30-13-15-33-48(45)56)39-22-16-20-37(34-39)38-21-17-27-42(35-38)55(40-23-6-2-7-24-40)41-25-8-3-9-26-41;1-4-17-37(18-5-1)43-25-10-11-28-46(43)50-52-49(53-51(54-50)56-47-29-14-12-26-44(47)45-27-13-15-30-48(45)56)39-20-16-19-38(35-39)36-31-33-42(34-32-36)55(40-21-6-2-7-22-40)41-23-8-3-9-24-41/h3*1-35H |
| InChIKey | RLUGCVGFXIJTOR-UHFFFAOYSA-N |
| XLogP | 39.32 |
| TPSA | 140.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2153.63 |
| LogP ≤ 5 | 39.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |