C268H184N16 — CID 159141335
1-(4-tert-butylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6-triphenylcarbazole (PubChem CID 159141335) has the molecular formula C268H184N16 and a molecular weight of 3628.53 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6-triphenylcarbazole.
| Compound Name | 1-(4-tert-butylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6-triphenylcarbazole |
|---|---|
| PubChem CID | 159141335 |
| Molecular Formula | C268H184N16 |
| Molecular Weight | 3628.53 g/mol |
| Exact Mass | 3625.49 |
| IUPAC Name | 1-(4-tert-butylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6-triphenylcarbazole |
| SMILES | CC(C)(C)c1ccc(-c2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n(-c4c(-c5ccccc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4ccccc4)c23)cc1.c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5c(-c6ccccc6)c(-c6ccccc6)ccc5c5ccc(-c6ccccc6)c(-c6ccccc6)c54)c(-c4ccccc4)c3)n2)cc1 |
| InChI | InChI=1S/2C69H46N4.C67H50N4.C63H42N4/c1-9-25-47(26-10-1)55-41-58(49-29-13-3-14-30-49)65-62(43-55)63-44-56(48-27-11-2-12-28-48)42-59(50-31-15-4-16-32-50)66(63)73(65)64-60(51-33-17-5-18-34-51)45-57(46-61(64)52-35-19-6-20-36-52)69-71-67(53-37-21-7-22-38-53)70-68(72-69)54-39-23-8-24-40-54;1-9-25-47(26-10-1)56-41-43-58-59-44-42-57(48-27-11-2-12-28-48)63(52-35-19-6-20-36-52)66(59)73(65(58)62(56)51-33-17-5-18-34-51)64-60(49-29-13-3-14-30-49)45-55(46-61(64)50-31-15-4-16-32-50)69-71-67(53-37-21-7-22-38-53)70-68(72-69)54-39-23-8-24-40-54;1-67(2,3)55-37-34-49(35-38-55)56-41-53(46-24-12-5-13-25-46)42-60-59-40-52(45-22-10-4-11-23-45)36-39-61(59)71(63(56)60)62-57(47-26-14-6-15-27-47)43-54(44-58(62)48-28-16-7-17-29-48)66-69-64(50-30-18-8-19-31-50)68-65(70-66)51-32-20-9-21-33-51;1-8-22-43(23-9-1)50-36-37-58-56(38-50)57-40-51(44-24-10-2-11-25-44)39-53(45-26-12-3-13-27-45)60(57)67(58)59-54(46-28-14-4-15-29-46)41-52(42-55(59)47-30-16-5-17-31-47)63-65-61(48-32-18-6-19-33-48)64-62(66-63)49-34-20-7-21-35-49/h2*1-46H;4-44H,1-3H3;1-42H |
| InChIKey | KICZMVDQZYOBFV-UHFFFAOYSA-N |
| XLogP | 69.85 |
| TPSA | 174.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 284 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3628.53 |
| LogP ≤ 5 | 69.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |