C135H82N16O2 — CID 163517555
11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]carbazole;11-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]carbazole (PubChem CID 163517555) has the molecular formula C135H82N16O2 and a molecular weight of 1975.34 g/mol. Its IUPAC name is 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]carbazole;11-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]carbazole.
| Compound Name | 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]carbazole;11-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 163517555 |
| Molecular Formula | C135H82N16O2 |
| Molecular Weight | 1975.34 g/mol |
| Exact Mass | 1973.77 |
| IUPAC Name | 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]carbazole;11-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]carbazole |
| SMILES | [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c1[2H] |
| InChI | InChI=1S/C45H28N6.2C45H27N5O/c1-3-15-29(16-4-1)43-46-44(50-38-24-12-7-19-31(38)32-20-8-13-25-39(32)50)48-45(47-43)51-40-26-14-10-22-34(40)36-27-41-35(28-42(36)51)33-21-9-11-23-37(33)49(41)30-17-5-2-6-18-30;1-3-14-28(15-4-1)43-46-44(33-21-13-25-41-42(33)32-20-9-12-24-40(32)51-41)48-45(47-43)50-37-23-11-8-19-31(37)35-26-38-34(27-39(35)50)30-18-7-10-22-36(30)49(38)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-24-34-33-19-9-12-22-41(33)51-42(34)25-29)48-45(47-43)50-38-21-11-8-18-32(38)36-26-39-35(27-40(36)50)31-17-7-10-20-37(31)49(39)30-15-5-2-6-16-30/h1-28H;2*1-27H/i2D,5D,6D,17D,18D;2D,5D,6D,16D,17D;1D,3D,4D,13D,14D |
| InChIKey | DIARPMFZOUMNSS-GGSGJCGTSA-N |
| XLogP | 33.43 |
| TPSA | 176.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1975.34 |
| LogP ≤ 5 | 33.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |