C207H156F3N15 — CID 158270896
4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 158270896) has the molecular formula C207H156F3N15 and a molecular weight of 2917.67 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole.
| Compound Name | 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole |
|---|---|
| PubChem CID | 158270896 |
| Molecular Formula | C207H156F3N15 |
| Molecular Weight | 2917.67 g/mol |
| Exact Mass | 2915.31 |
| IUPAC Name | 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole |
| SMILES | CC(C)(C)CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.CC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.CC(C)CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C([2H])(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21 |
| InChI | InChI=1S/C43H32F3N3.C43H35N3.C42H33N3.C40H29N3.C39H27N3/c1-42(2,43(44,45)46)25-24-27-12-11-21-39-40(27)47-41-48(37-19-9-10-20-38(37)49(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)26-28;1-43(2,3)26-25-28-13-12-22-40-41(28)44-42-45(38-20-10-11-21-39(38)46(40)42)29-23-24-36-34-18-7-6-16-32(34)30-14-4-5-15-31(30)33-17-8-9-19-35(33)37(36)27-29;1-27(2)22-23-28-12-11-21-40-41(28)43-42-44(38-19-9-10-20-39(38)45(40)42)29-24-25-36-34-17-6-5-15-32(34)30-13-3-4-14-31(30)33-16-7-8-18-35(33)37(36)26-29;1-25(2)27-18-11-21-38-39(27)41-40-42(36-19-9-10-20-37(36)43(38)40)26-22-23-34-32-16-6-5-14-30(32)28-12-3-4-13-29(28)31-15-7-8-17-33(31)35(34)24-26;1-2-25-12-11-21-37-38(25)40-39-41(35-19-9-10-20-36(35)42(37)39)26-22-23-33-31-17-6-5-15-29(31)27-13-3-4-14-28(27)30-16-7-8-18-32(30)34(33)24-26/h3-23,26H,24-25H2,1-2H3;4-24,27H,25-26H2,1-3H3;3-21,24-27H,22-23H2,1-2H3;3-25H,1-2H3;3-24H,2H2,1H3/b31-29-,32-30-,35-33-,36-34-;2*32-30-,33-31-,36-34-,37-35-;30-28-,31-29-,34-32-,35-33-;29-27-,30-28-,33-31-,34-32-/i;;;1D3,25D;1D3 |
| InChIKey | GIZZTHUYGRNTSM-MHMYAMKZSA-N |
| XLogP | 54.84 |
| TPSA | 111.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 225 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2917.67 |
| LogP ≤ 5 | 54.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |