C197H133N15 — CID 159472375
2-carbazol-9-yl-3-[4-cyano-3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-cyano-5-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;2-carbazol-9-yl-3-[3-(9,9,10-triphenylacridin-2-yl)phenyl]benzonitrile;9-[2-cyano-6-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 159472375) has the molecular formula C197H133N15 and a molecular weight of 2710.34 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[4-cyano-3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-cyano-5-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;2-carbazol-9-yl-3-[3-(9,9,10-triphenylacridin-2-yl)phenyl]benzonitrile;9-[2-cyano-6-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]carbazole-3-carbonitrile.
| Compound Name | 2-carbazol-9-yl-3-[4-cyano-3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-cyano-5-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;2-carbazol-9-yl-3-[3-(9,9,10-triphenylacridin-2-yl)phenyl]benzonitrile;9-[2-cyano-6-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]carbazole-3-carbonitrile |
|---|---|
| PubChem CID | 159472375 |
| Molecular Formula | C197H133N15 |
| Molecular Weight | 2710.34 g/mol |
| Exact Mass | 2708.09 |
| IUPAC Name | 2-carbazol-9-yl-3-[4-cyano-3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-cyano-5-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;2-carbazol-9-yl-3-[3-(9,9,10-triphenylacridin-2-yl)phenyl]benzonitrile;9-[2-cyano-6-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]carbazole-3-carbonitrile |
| SMILES | CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cc(-c4cccc(C#N)c4-n4c5ccccc5c5ccccc54)ccc3C#N)cc21.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(C#N)c(-c4cc(C#N)ccc4-n4c5ccccc5c5ccccc54)c3)cc21.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc(-c4cccc(C#N)c4-n4c5ccccc5c5cc(C#N)ccc54)c3)cc21.N#Cc1cccc(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccc3)c2)c1-n1c2ccccc2c2ccccc21 |
| InChI | InChI=1S/C56H37N3.3C47H32N4/c57-38-42-20-17-29-46(55(42)59-51-31-13-10-27-47(51)48-28-11-14-32-52(48)59)41-19-16-18-39(36-41)40-34-35-54-50(37-40)56(43-21-4-1-5-22-43,44-23-6-2-7-24-44)49-30-12-15-33-53(49)58(54)45-25-8-3-9-26-45;1-47(2)40-19-8-11-22-44(40)50(35-14-4-3-5-15-35)45-26-25-32(28-41(45)47)39-27-31(23-24-33(39)29-48)36-18-12-13-34(30-49)46(36)51-42-20-9-6-16-37(42)38-17-7-10-21-43(38)51;1-47(2)40-16-8-11-19-45(40)50(35-12-4-3-5-13-35)46-25-23-33(28-41(46)47)32-21-22-34(30-49)38(27-32)39-26-31(29-48)20-24-44(39)51-42-17-9-6-14-36(42)37-15-7-10-18-43(37)51;1-47(2)40-19-7-9-21-44(40)50(36-15-4-3-5-16-36)45-25-23-33(28-41(45)47)32-12-10-13-34(27-32)37-18-11-14-35(30-49)46(37)51-42-20-8-6-17-38(42)39-26-31(29-48)22-24-43(39)51/h1-37H;3*3-28H,1-2H3 |
| InChIKey | LVYRTQXYYQNSNO-UHFFFAOYSA-N |
| XLogP | 50.07 |
| TPSA | 199.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2710.34 |
| LogP ≤ 5 | 50.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |