C180H116N20 — CID 163613158
5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 163613158) has the molecular formula C180H116N20 and a molecular weight of 2599.29 g/mol. Its IUPAC name is 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole.
| Compound Name | 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 163613158 |
| Molecular Formula | C180H116N20 |
| Molecular Weight | 2599.29 g/mol |
| Exact Mass | 2597.22 |
| IUPAC Name | 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole |
| SMILES | [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccccc4)cc3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5cc43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6ccccc6)c5cc43)n2)c([2H])c1[2H] |
| InChI | InChI=1S/4C45H29N5/c1-4-16-30(17-5-1)33-22-10-13-25-38(33)49-39-26-14-11-23-34(39)36-28-37-35-24-12-15-27-40(35)50(42(37)29-41(36)49)45-47-43(31-18-6-2-7-19-31)46-44(48-45)32-20-8-3-9-21-32;1-4-15-30(16-5-1)33-21-14-22-34(27-33)49-39-25-12-10-23-35(39)37-28-38-36-24-11-13-26-40(36)50(42(38)29-41(37)49)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-29-42-38(28-41(37)49)36-21-11-13-23-40(36)50(42)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-28-38-36-21-11-13-23-40(36)50(42(38)29-41(37)49)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h4*1-29H/i2D,3D,6D,7D,8D,9D,18D,19D,20D,21D;2D,3D,6D,7D,8D,9D,17D,18D,19D,20D;2*2D,3D,6D,7D,8D,9D,16D,17D,18D,19D |
| InChIKey | HHRNFVHDYGJWRE-QLZYAMSYSA-N |
| XLogP | 44.27 |
| TPSA | 194.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2599.29 |
| LogP ≤ 5 | 44.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |