C171H114N26 — CID 158448768
9-(3-carbazol-9-ylphenyl)-2-(3,5-diphenyltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(1,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(2,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)carbazole;methane (PubChem CID 158448768) has the molecular formula C171H114N26 and a molecular weight of 2532.97 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-2-(3,5-diphenyltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(1,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(2,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)carbazole;methane.
| Compound Name | 9-(3-carbazol-9-ylphenyl)-2-(3,5-diphenyltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(1,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(2,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)carbazole;methane |
|---|---|
| PubChem CID | 158448768 |
| Molecular Formula | C171H114N26 |
| Molecular Weight | 2532.97 g/mol |
| Exact Mass | 2530.97 |
| IUPAC Name | 9-(3-carbazol-9-ylphenyl)-2-(3,5-diphenyltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(1,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(2,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)carbazole;methane |
| SMILES | C.c1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3c2)cc1.c1cncc(-c2nc(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)n(-c3cccnc3)n2)c1.c1cncc(-c2nc(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)nn2-c2cccnc2)c1.c1cncc(-c2nc(-c3cccnc3)n(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)n2)c1 |
| InChI | InChI=1S/C44H29N5.3C42H27N7.CH4/c1-3-14-30(15-4-1)43-44(49(46-45-43)32-16-5-2-6-17-32)31-26-27-38-37-22-9-12-25-41(37)48(42(38)28-31)34-19-13-18-33(29-34)47-39-23-10-7-20-35(39)36-21-8-11-24-40(36)47;1-4-17-37-33(14-1)34-15-2-5-18-38(34)47(37)30-12-7-13-31(24-30)48-39-19-6-3-16-35(39)36-21-20-32(25-40(36)48)49-42(29-11-9-23-44-27-29)45-41(46-49)28-10-8-22-43-26-28;1-4-17-37-33(14-1)34-15-2-5-18-38(34)47(37)30-11-7-12-31(25-30)48-39-19-6-3-16-35(39)36-21-20-28(24-40(36)48)42-45-41(29-10-8-22-43-26-29)46-49(42)32-13-9-23-44-27-32;1-4-17-37-33(14-1)34-15-2-5-18-38(34)47(37)30-11-7-12-31(25-30)48-39-19-6-3-16-35(39)36-21-20-28(24-40(36)48)41-45-42(29-10-8-22-43-26-29)49(46-41)32-13-9-23-44-27-32;/h1-29H;3*1-27H;1H4 |
| InChIKey | HDSGTODQSGYLME-UHFFFAOYSA-N |
| XLogP | 40.19 |
| TPSA | 239.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 197 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2532.97 |
| LogP ≤ 5 | 40.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |