C193H136N12 — CID 159134009
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-(2,6-dimethylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazole (PubChem CID 159134009) has the molecular formula C193H136N12 and a molecular weight of 2659.51 g/mol. Its IUPAC name is 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-(2,6-dimethylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazole.
| Compound Name | 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-(2,6-dimethylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159134009 |
| Molecular Formula | C193H136N12 |
| Molecular Weight | 2659.51 g/mol |
| Exact Mass | 2657.33 |
| IUPAC Name | 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-(2,6-dimethylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazole |
| SMILES | CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.Cc1cccc(C)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[2H]c1c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(-c2cccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c1 |
| InChI | InChI=1S/C44H31N3.C43H29N3.C40H32N2.C36H24N2.C30H20N2/c1-28-12-11-13-29(2)44(28)47-42-24-22-30(45-38-18-7-3-14-32(38)33-15-4-8-19-39(33)45)26-36(42)37-27-31(23-25-43(37)47)46-40-20-9-5-16-34(40)35-17-6-10-21-41(35)46;1-28-11-10-12-29(25-28)44-42-23-21-30(45-38-17-6-2-13-32(38)33-14-3-7-18-39(33)45)26-36(42)37-27-31(22-24-43(37)44)46-40-19-8-4-15-34(40)35-16-5-9-20-41(35)46;1-40(2,3)29-22-23-39-35(26-29)34-18-6-9-21-38(34)42(39)31-15-11-13-28(25-31)27-12-10-14-30(24-27)41-36-19-7-4-16-32(36)33-17-5-8-20-37(33)41;1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h3-27H,1-2H3;2-27H,1H3;4-26H,1-3H3;1-24H;1-20H/i;;;1D,2D,3D,4D,5D,6D,7D,8D,15D,16D,17D,18D,19D,20D,21D,22D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D |
| InChIKey | KHGCSQXSYYJXII-IGRZSQCWSA-N |
| XLogP | 51.15 |
| TPSA | 59.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2659.51 |
| LogP ≤ 5 | 51.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |