C208H140N18 — CID 158468297
3-[9-(4-tert-butylphenyl)carbazol-4-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;4-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;4-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]naphthalen-2-yl]-9-phenylcarbazole;4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole (PubChem CID 158468297) has the molecular formula C208H140N18 and a molecular weight of 2891.53 g/mol. Its IUPAC name is 3-[9-(4-tert-butylphenyl)carbazol-4-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;4-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;4-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]naphthalen-2-yl]-9-phenylcarbazole;4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole.
| Compound Name | 3-[9-(4-tert-butylphenyl)carbazol-4-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;4-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;4-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]naphthalen-2-yl]-9-phenylcarbazole;4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 158468297 |
| Molecular Formula | C208H140N18 |
| Molecular Weight | 2891.53 g/mol |
| Exact Mass | 2889.15 |
| IUPAC Name | 3-[9-(4-tert-butylphenyl)carbazol-4-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;4-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;4-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]naphthalen-2-yl]-9-phenylcarbazole;4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole |
| SMILES | CC(C)(C)c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cccc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6cc(-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc6c5)ccc43)n2)cc1 |
| InChI | InChI=1S/C55H35N5.C52H34N4.C51H33N5.C50H38N4/c1-4-15-36(16-5-1)53-56-54(37-17-6-2-7-18-37)58-55(57-53)60-48-24-12-10-21-45(48)47-35-41(31-32-50(47)60)39-27-28-40-34-42(30-29-38(40)33-39)44-23-14-26-51-52(44)46-22-11-13-25-49(46)59(51)43-19-8-3-9-20-43;1-4-15-37(16-5-1)45-34-46(38-17-6-2-7-18-38)54-52(53-45)56-47-24-12-10-21-42(47)44-33-39(31-32-49(44)56)35-27-29-36(30-28-35)41-23-14-26-50-51(41)43-22-11-13-25-48(43)55(50)40-19-8-3-9-20-40;1-4-15-36(16-5-1)49-52-50(37-17-6-2-7-18-37)54-51(53-49)56-44-24-12-10-21-41(44)43-33-38(31-32-46(43)56)34-27-29-35(30-28-34)40-23-14-26-47-48(40)42-22-11-13-25-45(42)55(47)39-19-8-3-9-20-39;1-50(2,3)36-26-28-37(29-27-36)53-45-23-13-11-20-40(45)48-38(21-14-24-47(48)53)35-25-30-46-41(31-35)39-19-10-12-22-44(39)54(46)49-51-42(33-15-6-4-7-16-33)32-43(52-49)34-17-8-5-9-18-34/h1-35H;1-34H;1-33H;4-32H,1-3H3 |
| InChIKey | HGANHLSGJCMEEX-UHFFFAOYSA-N |
| XLogP | 52.93 |
| TPSA | 168.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 226 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2891.53 |
| LogP ≤ 5 | 52.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |