C132H86N6S — CID 158199615
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 158199615) has the molecular formula C132H86N6S and a molecular weight of 1788.25 g/mol. Its IUPAC name is 3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.
| Compound Name | 3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 158199615 |
| Molecular Formula | C132H86N6S |
| Molecular Weight | 1788.25 g/mol |
| Exact Mass | 1786.66 |
| IUPAC Name | 3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole |
| SMILES | c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/C48H30N2S.C48H32N2.C36H24N2/c1-2-10-35(11-3-1)49-43-15-7-4-12-37(43)40-28-33(20-25-45(40)49)34-21-26-46-41(29-34)38-13-5-8-16-44(38)50(46)36-23-18-31(19-24-36)32-22-27-48-42(30-32)39-14-6-9-17-47(39)51-48;1-3-12-33(13-4-1)35-14-11-15-36(30-35)34-22-26-40(27-23-34)50-46-21-10-8-19-42(46)44-32-38(25-29-48(44)50)37-24-28-47-43(31-37)41-18-7-9-20-45(41)49(47)39-16-5-2-6-17-39;1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-30H;1-32H;1-24H |
| InChIKey | GATQDJHQCDCFIY-UHFFFAOYSA-N |
| XLogP | 36.01 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 139 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1788.25 |
| LogP ≤ 5 | 36.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |