C252H167N11OS — CID 162097761
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 162097761) has the molecular formula C252H167N11OS and a molecular weight of 3397.25 g/mol. Its IUPAC name is 3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
| Compound Name | 3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 162097761 |
| Molecular Formula | C252H167N11OS |
| Molecular Weight | 3397.25 g/mol |
| Exact Mass | 3394.31 |
| IUPAC Name | 3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)ccc21.CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)ccc21.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/C57H40N2.C51H36N2.C48H31N3.C48H30N2O.C48H30N2S/c1-57(2)51-22-12-9-19-45(51)48-36-43(27-28-52(48)57)58-53-23-13-10-20-46(53)49-34-39(25-29-55(49)58)40-26-30-56-50(35-40)47-21-11-14-24-54(47)59(56)44-32-41(37-15-5-3-6-16-37)31-42(33-44)38-17-7-4-8-18-38;1-51(2)45-20-9-6-17-39(45)42-32-38(25-26-46(42)51)53-48-22-11-8-19-41(48)44-31-36(24-28-50(44)53)35-23-27-49-43(30-35)40-18-7-10-21-47(40)52(49)37-16-12-15-34(29-37)33-13-4-3-5-14-33;1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;2*1-2-11-31(12-3-1)32-13-10-14-35(27-32)49-43-18-7-4-15-37(43)40-28-33(21-24-45(40)49)34-22-25-46-41(29-34)38-16-5-8-19-44(38)50(46)36-23-26-48-42(30-36)39-17-6-9-20-47(39)51-48/h3-36H,1-2H3;3-32H,1-2H3;1-31H;2*1-30H |
| InChIKey | ZEMCCIHMTQIDJR-UHFFFAOYSA-N |
| XLogP | 68.05 |
| TPSA | 67.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 265 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3397.25 |
| LogP ≤ 5 | 68.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |