C136H109N11O3 — CID 167667494
10-[4-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]cyclohexyl]phenyl]phenoxazine;10-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]phenoxazine;10-[4-[1-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]phenoxazine (PubChem CID 167667494) has the molecular formula C136H109N11O3 and a molecular weight of 1945.44 g/mol. Its IUPAC name is 10-[4-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]cyclohexyl]phenyl]phenoxazine;10-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]phenoxazine;10-[4-[1-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]phenoxazine.
| Compound Name | 10-[4-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]cyclohexyl]phenyl]phenoxazine;10-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]phenoxazine;10-[4-[1-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]phenoxazine |
|---|---|
| PubChem CID | 167667494 |
| Molecular Formula | C136H109N11O3 |
| Molecular Weight | 1945.44 g/mol |
| Exact Mass | 1943.87 |
| IUPAC Name | 10-[4-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]cyclohexyl]phenyl]phenoxazine;10-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]phenoxazine;10-[4-[1-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]phenoxazine |
| SMILES | c1ccc(-c2cc(-c3ccc(C4(c5ccc(N6c7ccccc7Oc7ccccc76)cc5)CCCCC4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(C4(c5ccc(N6c7ccccc7Oc7ccccc76)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1.c1cncc(-c2nc(-c3ccc(C4(c5ccc(N6c7ccccc7Oc7ccccc76)cc5)CCCCC4)cc3)nc(-c3cccnc3)n2)c1 |
| InChI | InChI=1S/C47H38N2O.C46H37N3O.C43H34N6O/c1-4-14-35(15-5-1)41-32-37(33-42(48-41)36-16-6-2-7-17-36)34-22-24-38(25-23-34)47(30-12-3-13-31-47)39-26-28-40(29-27-39)49-43-18-8-10-20-45(43)50-46-21-11-9-19-44(46)49;1-4-14-33(15-5-1)39-32-40(48-45(47-39)35-16-6-2-7-17-35)34-22-24-36(25-23-34)46(30-12-3-13-31-46)37-26-28-38(29-27-37)49-41-18-8-10-20-43(41)50-44-21-11-9-19-42(44)49;1-6-24-43(25-7-1,34-20-22-35(23-21-34)49-36-12-2-4-14-38(36)50-39-15-5-3-13-37(39)49)33-18-16-30(17-19-33)40-46-41(31-10-8-26-44-28-31)48-42(47-40)32-11-9-27-45-29-32/h1-2,4-11,14-29,32-33H,3,12-13,30-31H2;1-2,4-11,14-29,32H,3,12-13,30-31H2;2-5,8-23,26-29H,1,6-7,24-25H2 |
| InChIKey | SVVICIDFULEQMP-UHFFFAOYSA-N |
| XLogP | 35.70 |
| TPSA | 140.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1945.44 |
| LogP ≤ 5 | 35.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |