C108H67N15O3 — CID 157354749
6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]furo[3,2-c]carbazole;6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole;6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]furo[3,2-c]carbazole (PubChem CID 157354749) has the molecular formula C108H67N15O3 and a molecular weight of 1622.83 g/mol. Its IUPAC name is 6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]furo[3,2-c]carbazole;6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole;6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]furo[3,2-c]carbazole.
| Compound Name | 6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]furo[3,2-c]carbazole;6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole;6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]furo[3,2-c]carbazole |
|---|---|
| PubChem CID | 157354749 |
| Molecular Formula | C108H67N15O3 |
| Molecular Weight | 1622.83 g/mol |
| Exact Mass | 1621.56 |
| IUPAC Name | 6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]furo[3,2-c]carbazole;6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole;6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]furo[3,2-c]carbazole |
| SMILES | c1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccncc3)n2)cc(-n2c3ccccc3c3c4occc4ccc32)c1.c1ccc2c(c1)c1c3occc3ccc1n2-c1cc(-c2ccc(-c3ccncc3)cc2)nc(-c2ccncc2)n1.c1ccc2c(c1)c1c3occc3ccc1n2-c1nc(-c2ccncc2)nc(-c2ccc(-c3ccncc3)cc2)n1 |
| InChI | InChI=1S/C41H26N4O.C34H21N5O.C33H20N6O/c1-2-7-38-35(6-1)40-39(13-12-31-18-23-46-41(31)40)45(38)34-5-3-4-32(24-34)37-26-33(25-36(44-37)30-16-21-43-22-17-30)28-10-8-27(9-11-28)29-14-19-42-20-15-29;1-2-4-29-27(3-1)32-30(10-9-25-15-20-40-33(25)32)39(29)31-21-28(37-34(38-31)26-13-18-36-19-14-26)24-7-5-22(6-8-24)23-11-16-35-17-12-23;1-2-4-27-26(3-1)29-28(10-9-23-15-20-40-30(23)29)39(27)33-37-31(36-32(38-33)25-13-18-35-19-14-25)24-7-5-21(6-8-24)22-11-16-34-17-12-22/h1-26H;1-21H;1-20H |
| InChIKey | BHYIWXUTIJOZJG-UHFFFAOYSA-N |
| XLogP | 26.00 |
| TPSA | 208.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 126 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1622.83 |
| LogP ≤ 5 | 26.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |