C123H76N12O3 — CID 164978383
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 164978383) has the molecular formula C123H76N12O3 and a molecular weight of 1770.04 g/mol. Its IUPAC name is 9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 164978383 |
| Molecular Formula | C123H76N12O3 |
| Molecular Weight | 1770.04 g/mol |
| Exact Mass | 1768.62 |
| IUPAC Name | 9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)oc2ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc23)cc1.c1ccc(-c2nc(-c3ccc4oc5c(-c6ccccc6)cccc5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C45H28N4O.2C39H24N4O/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)43-46-44(48-45(47-43)49-39-20-9-7-16-35(39)36-17-8-10-21-40(36)49)33-26-27-41-38(28-33)37-19-11-18-34(42(37)50-41)31-14-5-2-6-15-31;1-3-12-25(13-4-1)28-18-11-19-31-32-24-27(22-23-35(32)44-36(28)31)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-33-20-9-7-16-29(33)30-17-8-10-21-34(30)43;1-3-11-25(12-4-1)27-19-21-31-32-23-28(20-22-35(32)44-36(31)24-27)38-40-37(26-13-5-2-6-14-26)41-39(42-38)43-33-17-9-7-15-29(33)30-16-8-10-18-34(30)43/h1-28H;2*1-24H |
| InChIKey | FCQXOZOBIBMVIB-UHFFFAOYSA-N |
| XLogP | 31.27 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 138 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1770.04 |
| LogP ≤ 5 | 31.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |