C149H95N11O — CID 158224995
5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;7,7-diphenyl-5-(3-phenylquinoxalin-2-yl)indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole (PubChem CID 158224995) has the molecular formula C149H95N11O and a molecular weight of 2055.47 g/mol. Its IUPAC name is 5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;7,7-diphenyl-5-(3-phenylquinoxalin-2-yl)indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole.
| Compound Name | 5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;7,7-diphenyl-5-(3-phenylquinoxalin-2-yl)indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole |
|---|---|
| PubChem CID | 158224995 |
| Molecular Formula | C149H95N11O |
| Molecular Weight | 2055.47 g/mol |
| Exact Mass | 2053.77 |
| IUPAC Name | 5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;7,7-diphenyl-5-(3-phenylquinoxalin-2-yl)indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1 |
| InChI | InChI=1S/C52H32N4O.C52H34N4.C45H29N3/c1-4-17-33(18-5-1)49-53-50(40-27-16-26-39-38-25-12-15-30-47(38)57-48(39)40)55-51(54-49)56-45-29-14-11-24-37(45)42-31-41-36-23-10-13-28-43(36)52(44(41)32-46(42)56,34-19-6-2-7-20-34)35-21-8-3-9-22-35;1-6-18-35(19-7-1)38-30-31-47-43(32-38)44-33-42-41-28-16-17-29-45(41)52(39-24-12-4-13-25-39,40-26-14-5-15-27-40)46(42)34-48(44)56(47)51-54-49(36-20-8-2-9-21-36)53-50(55-51)37-22-10-3-11-23-37;1-4-16-30(17-5-1)43-44(47-40-26-14-13-25-39(40)46-43)48-41-27-15-11-23-34(41)36-28-35-33-22-10-12-24-37(33)45(38(35)29-42(36)48,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-32H;1-34H;1-29H |
| InChIKey | GDRNENOEJYTJJV-UHFFFAOYSA-N |
| XLogP | 35.65 |
| TPSA | 131.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2055.47 |
| LogP ≤ 5 | 35.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |