C215H137N13 — CID 159275309
11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole (PubChem CID 159275309) has the molecular formula C215H137N13 and a molecular weight of 2902.55 g/mol. Its IUPAC name is 11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole.
| Compound Name | 11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole |
|---|---|
| PubChem CID | 159275309 |
| Molecular Formula | C215H137N13 |
| Molecular Weight | 2902.55 g/mol |
| Exact Mass | 2900.11 |
| IUPAC Name | 11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole |
| SMILES | c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc(-n3c4ccccc4c4ccc5c(c43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1 |
| InChI | InChI=1S/2C72H46N4.C71H45N5/c1-6-24-47(25-7-1)70-73-68(75-64-40-22-18-36-54(64)58-42-62-56(44-66(58)75)52-34-16-20-38-60(52)71(62,48-26-8-2-9-27-48)49-28-10-3-11-29-49)46-69(74-70)76-65-41-23-19-37-55(65)59-43-63-57(45-67(59)76)53-35-17-21-39-61(53)72(63,50-30-12-4-13-31-50)51-32-14-5-15-33-51;1-6-24-47(25-7-1)70-73-64(75-62-40-22-18-36-54(62)58-44-42-56-52-34-16-20-38-60(52)71(66(56)68(58)75,48-26-8-2-9-27-48)49-28-10-3-11-29-49)46-65(74-70)76-63-41-23-19-37-55(63)59-45-43-57-53-35-17-21-39-61(53)72(67(57)69(59)76,50-30-12-4-13-31-50)51-32-14-5-15-33-51;1-6-24-46(25-7-1)67-72-68(75-63-40-22-18-36-53(63)57-42-61-55(44-65(57)75)51-34-16-20-38-59(51)70(61,47-26-8-2-9-27-47)48-28-10-3-11-29-48)74-69(73-67)76-64-41-23-19-37-54(64)58-43-62-56(45-66(58)76)52-35-17-21-39-60(52)71(62,49-30-12-4-13-31-49)50-32-14-5-15-33-50/h2*1-46H;1-45H |
| InChIKey | KYFRMJMGWATIPO-UHFFFAOYSA-N |
| XLogP | 50.59 |
| TPSA | 119.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2902.55 |
| LogP ≤ 5 | 50.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |