C119H83N11O — CID 164976984
11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole (PubChem CID 164976984) has the molecular formula C119H83N11O and a molecular weight of 1683.05 g/mol. Its IUPAC name is 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole.
| Compound Name | 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole |
|---|---|
| PubChem CID | 164976984 |
| Molecular Formula | C119H83N11O |
| Molecular Weight | 1683.05 g/mol |
| Exact Mass | 1681.68 |
| IUPAC Name | 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c21 |
| InChI | InChI=1S/C42H28N4O.C42H30N4.C35H25N3/c1-42(2)33-20-9-6-15-26(33)29-23-24-30-27-16-7-10-21-34(27)46(37(30)36(29)42)41-44-39(25-13-4-3-5-14-25)43-40(45-41)32-19-12-18-31-28-17-8-11-22-35(28)47-38(31)32;1-42(2)35-21-13-12-20-31(35)32-23-24-33-34-26-30(27-14-6-3-7-15-27)22-25-36(34)46(38(33)37(32)42)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29;1-35(2)27-16-8-6-14-23(27)25-20-21-26-24-15-7-11-19-30(24)38(33(26)31(25)35)34-32(22-12-4-3-5-13-22)36-28-17-9-10-18-29(28)37-34/h3-24H,1-2H3;3-26H,1-2H3;3-21H,1-2H3 |
| InChIKey | DXTNHYLVFYQSDV-UHFFFAOYSA-N |
| XLogP | 29.48 |
| TPSA | 131.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 131 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1683.05 |
| LogP ≤ 5 | 29.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |