C181H223N5 — CID 167559301
2,7-ditert-butyl-9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2-tert-butylphenyl)carbazole;2,7-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole;2,7-ditert-butyl-9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole (PubChem CID 167559301) has the molecular formula C181H223N5 and a molecular weight of 2472.83 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2-tert-butylphenyl)carbazole;2,7-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole;2,7-ditert-butyl-9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole.
| Compound Name | 2,7-ditert-butyl-9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2-tert-butylphenyl)carbazole;2,7-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole;2,7-ditert-butyl-9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole |
|---|---|
| PubChem CID | 167559301 |
| Molecular Formula | C181H223N5 |
| Molecular Weight | 2472.83 g/mol |
| Exact Mass | 2470.79 |
| IUPAC Name | 2,7-ditert-butyl-9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2-tert-butylphenyl)carbazole;2,7-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole;2,7-ditert-butyl-9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole |
| SMILES | CC(C)(C)c1cc(-c2cccc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cccc(-c4ccccc4)c3C(C)(C)C)c2c1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cccc(C(C)(C)C)c3C(C)(C)C)c2c1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccccc3C(C)(C)C)c2c1.[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2C(C)(C)C)c1[2H] |
| InChI | InChI=1S/C44H57N.C37H43N.C36H41N.C34H45N.C30H37N/c1-40(2,3)29-19-21-34-35-22-20-30(41(4,5)6)27-38(35)45(37(34)26-29)36-18-16-17-33(39(36)44(13,14)15)28-23-31(42(7,8)9)25-32(24-28)43(10,11)12;1-24-13-11-14-25(21-24)28-15-12-16-31(34(28)37(8,9)10)38-32-22-26(35(2,3)4)17-19-29(32)30-20-18-27(23-33(30)38)36(5,6)7;1-34(2,3)25-18-20-28-29-21-19-26(35(4,5)6)23-32(29)37(31(28)22-25)30-17-13-16-27(33(30)36(7,8)9)24-14-11-10-12-15-24;1-31(2,3)22-16-18-24-25-19-17-23(32(4,5)6)21-29(25)35(28(24)20-22)27-15-13-14-26(33(7,8)9)30(27)34(10,11)12;1-28(2,3)20-14-16-22-23-17-15-21(29(4,5)6)19-27(23)31(26(22)18-20)25-13-11-10-12-24(25)30(7,8)9/h16-27H,1-15H3;11-23H,1-10H3;10-23H,1-9H3;13-21H,1-12H3;10-19H,1-9H3/i;11D,13D,14D,21D;;; |
| InChIKey | DKZFCKZOASURBB-UNZTZKCUSA-N |
| XLogP | 52.58 |
| TPSA | 24.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 186 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2472.83 |
| LogP ≤ 5 | 52.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |