C119H83N11O — CID 165082751
5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11,11-dimethyl-5-(3-phenylquinoxalin-2-yl)indeno[1,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole (PubChem CID 165082751) has the molecular formula C119H83N11O and a molecular weight of 1683.05 g/mol. Its IUPAC name is 5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11,11-dimethyl-5-(3-phenylquinoxalin-2-yl)indeno[1,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole.
| Compound Name | 5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11,11-dimethyl-5-(3-phenylquinoxalin-2-yl)indeno[1,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole |
|---|---|
| PubChem CID | 165082751 |
| Molecular Formula | C119H83N11O |
| Molecular Weight | 1683.05 g/mol |
| Exact Mass | 1681.68 |
| IUPAC Name | 5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11,11-dimethyl-5-(3-phenylquinoxalin-2-yl)indeno[1,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccccc2)ccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc2ccccc2nc1-c1ccccc1 |
| InChI | InChI=1S/C42H28N4O.C42H30N4.C35H25N3/c1-42(2)33-20-9-6-15-26(33)31-24-36-32(23-34(31)42)27-16-7-10-21-35(27)46(36)41-44-39(25-13-4-3-5-14-25)43-40(45-41)30-19-12-18-29-28-17-8-11-22-37(28)47-38(29)30;1-42(2)35-21-13-12-20-31(35)32-26-38-34(25-36(32)42)33-24-30(27-14-6-3-7-15-27)22-23-37(33)46(38)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)25-21-32-26(20-28(25)35)24-15-7-11-19-31(24)38(32)34-33(22-12-4-3-5-13-22)36-29-17-9-10-18-30(29)37-34/h3-24H,1-2H3;3-26H,1-2H3;3-21H,1-2H3 |
| InChIKey | VJSQRNUHQZCDBF-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 |