C168H108N28 — CID 159166576
9-(3-carbazol-9-ylphenyl)-1-(1,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yltriazol-1-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole (PubChem CID 159166576) has the molecular formula C168H108N28 and a molecular weight of 2518.91 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-1-(1,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yltriazol-1-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole.
| Compound Name | 9-(3-carbazol-9-ylphenyl)-1-(1,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yltriazol-1-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole |
|---|---|
| PubChem CID | 159166576 |
| Molecular Formula | C168H108N28 |
| Molecular Weight | 2518.91 g/mol |
| Exact Mass | 2516.93 |
| IUPAC Name | 9-(3-carbazol-9-ylphenyl)-1-(1,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yltriazol-1-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole |
| SMILES | c1cncc(-c2c(-c3cccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)nnn2-c2cccnc2)c1.c1cncc(-c2nnc(-c3cccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)n2-c2cccnc2)c1.c1cncc(-c2nnn(-c3cccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)c2-c2cccnc2)c1.c1cncc(-c2nnn(-c3cccnc3)c2-c2cccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)c1 |
| InChI | InChI=1S/4C42H27N7/c1-4-19-36-32(15-1)33-16-2-5-20-37(33)47(36)30-13-7-14-31(25-30)48-38-21-6-3-17-34(38)35-18-8-22-39(42(35)48)49-41(29-12-10-24-44-27-29)40(45-46-49)28-11-9-23-43-26-28;1-4-20-37-32(15-1)33-16-2-5-21-38(33)47(37)29-12-7-13-30(25-29)48-39-22-6-3-17-34(39)35-18-8-19-36(42(35)48)40-41(28-11-9-23-43-26-28)49(46-45-40)31-14-10-24-44-27-31;1-4-20-37-32(15-1)33-16-2-5-21-38(33)47(37)29-12-7-13-30(25-29)48-39-22-6-3-17-34(39)35-18-8-19-36(40(35)48)42-46-45-41(28-11-9-23-43-26-28)49(42)31-14-10-24-44-27-31;1-4-20-37-32(15-1)33-16-2-5-21-38(33)47(37)29-12-7-13-30(25-29)48-39-22-6-3-17-34(39)35-18-8-19-36(41(35)48)42-40(28-11-9-23-43-26-28)45-46-49(42)31-14-10-24-44-27-31/h4*1-27H |
| InChIKey | KLDLQLVJNCCZCF-UHFFFAOYSA-N |
| XLogP | 38.34 |
| TPSA | 265.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2518.91 |
| LogP ≤ 5 | 38.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |