C210H207N9 — CID 159023225
1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;3,6-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole (PubChem CID 159023225) has the molecular formula C210H207N9 and a molecular weight of 2862.06 g/mol. Its IUPAC name is 1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;3,6-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole.
| Compound Name | 1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;3,6-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 159023225 |
| Molecular Formula | C210H207N9 |
| Molecular Weight | 2862.06 g/mol |
| Exact Mass | 2859.68 |
| IUPAC Name | 1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;3,6-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole |
| SMILES | CC(C)(C)c1c(-c2ccccc2)cccc1-n1c2ccccc2c2ccccc21.CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2c3ccccc3n(-c3ccccc3)c12.CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2ccccc2)c1C(C)(C)C.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C(C)(C)C.[2H]c1c([2H])c([2H])c(-c2cccc(-n3c4ccccc4c4ccccc43)c2C(C)(C)C)c([2H])c1[2H] |
| InChI | InChI=1S/C50H60N2.C36H41N.2C34H28N2.2C28H25N/c1-46(2,3)31-19-23-39-35(27-31)36-28-32(47(4,5)6)20-24-40(36)51(39)43-17-16-18-44(45(43)50(13,14)15)52-41-25-21-33(48(7,8)9)29-37(41)38-30-34(49(10,11)12)22-26-42(38)52;1-34(2,3)25-18-20-30-28(22-25)29-23-26(35(4,5)6)19-21-31(29)37(30)32-17-13-16-27(33(32)36(7,8)9)24-14-11-10-12-15-24;1-34(2,3)33-31(35-27-17-8-4-13-23(27)24-14-5-9-18-28(24)35)21-12-22-32(33)36-29-19-10-6-15-25(29)26-16-7-11-20-30(26)36;1-34(2,3)32-31(36-29-19-11-7-15-24(29)25-16-8-12-20-30(25)36)22-21-27-26-17-9-10-18-28(26)35(33(27)32)23-13-5-4-6-14-23;2*1-28(2,3)27-21(20-12-5-4-6-13-20)16-11-19-26(27)29-24-17-9-7-14-22(24)23-15-8-10-18-25(23)29/h16-30H,1-15H3;10-23H,1-9H3;2*4-22H,1-3H3;2*4-19H,1-3H3/i;;;;4D,5D,6D,12D,13D; |
| InChIKey | JTYRNDDMSZEQKN-ZLDNGAQZSA-N |
| XLogP | 58.56 |
| TPSA | 44.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 219 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2862.06 |
| LogP ≤ 5 | 58.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |