C170H120N8O4 — CID 159228976
9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]fluoren-2-amine;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]aniline;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline (PubChem CID 159228976) has the molecular formula C170H120N8O4 and a molecular weight of 2338.88 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]fluoren-2-amine;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]aniline;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline.
| Compound Name | 9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]fluoren-2-amine;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]aniline;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline |
|---|---|
| PubChem CID | 159228976 |
| Molecular Formula | C170H120N8O4 |
| Molecular Weight | 2338.88 g/mol |
| Exact Mass | 2336.94 |
| IUPAC Name | 9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]fluoren-2-amine;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]aniline;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6nc(-c7ccccc7)oc6c5c4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccc6nc(-c7ccccc7)oc6c45)cc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6nc(-c7ccccc7)oc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccc6nc(-c7ccccc7)oc6c45)cc3)cc2)cc1 |
| InChI | InChI=1S/2C44H32N2O.2C41H28N2O/c1-44(2)38-19-10-9-17-36(38)37-26-25-34(28-39(37)44)46(32-15-7-4-8-16-32)33-23-20-29(21-24-33)35-18-11-14-30-22-27-40-42(41(30)35)47-43(45-40)31-12-5-3-6-13-31;1-44(2)39-16-10-9-15-36(39)37-25-24-35(28-40(37)44)46(33-13-7-4-8-14-33)34-22-19-29(20-23-34)32-18-17-30-21-26-41-42(38(30)27-32)47-43(45-41)31-11-5-3-6-12-31;1-4-11-29(12-5-1)30-19-24-35(25-20-30)43(34-16-8-3-9-17-34)36-26-21-31(22-27-36)37-18-10-15-32-23-28-38-40(39(32)37)44-41(42-38)33-13-6-2-7-14-33;1-4-10-29(11-5-1)30-18-23-36(24-19-30)43(35-14-8-3-9-15-35)37-25-20-31(21-26-37)34-17-16-32-22-27-39-40(38(32)28-34)44-41(42-39)33-12-6-2-7-13-33/h2*3-28H,1-2H3;2*1-28H |
| InChIKey | KSQOTDXMGBGLBJ-UHFFFAOYSA-N |
| XLogP | 47.09 |
| TPSA | 117.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 182 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2338.88 |
| LogP ≤ 5 | 47.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |