C240H156N16OS — CID 157227611
10-dibenzofuran-2-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;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 (PubChem CID 157227611) has the molecular formula C240H156N16OS and a molecular weight of 3312.07 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;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.
| Compound Name | 10-dibenzofuran-2-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;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 |
|---|---|
| PubChem CID | 157227611 |
| Molecular Formula | C240H156N16OS |
| Molecular Weight | 3312.07 g/mol |
| Exact Mass | 3309.24 |
| IUPAC Name | 10-dibenzofuran-2-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;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 |
| SMILES | CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc(-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.C48H32N4O.C48H32N4S/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;1-48(2)39-23-21-31(32-22-24-44-38(26-32)34-18-10-12-20-43(34)53-44)25-35(39)36-27-37-33-17-9-11-19-41(33)52(42(37)28-40(36)48)47-50-45(29-13-5-3-6-14-29)49-46(51-47)30-15-7-4-8-16-30;1-48(2)39-26-31(32-20-13-21-36-35-19-10-12-23-43(35)53-44(32)36)24-25-33(39)37-28-42-38(27-40(37)48)34-18-9-11-22-41(34)52(42)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30/h2*1-46H;2*3-28H,1-2H3 |
| InChIKey | ATSIAMKAVPIQLH-UHFFFAOYSA-N |
| XLogP | 58.95 |
| TPSA | 171.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 258 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3312.07 |
| LogP ≤ 5 | 58.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |