C249H163N17O4 — CID 160711952
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 160711952) has the molecular formula C249H163N17O4 and a molecular weight of 3457.16 g/mol. Its IUPAC name is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole.
| Compound Name | 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole |
|---|---|
| PubChem CID | 160711952 |
| Molecular Formula | C249H163N17O4 |
| Molecular Weight | 3457.16 g/mol |
| Exact Mass | 3454.31 |
| IUPAC Name | 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc(-c6nc(-c8ccccc8)cc(-c8ccccc8)n6)cc5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21 |
| InChI | InChI=1S/C67H44N4O.2C61H40N4O.C60H39N5O/c1-67(2)56-24-14-12-22-48(56)50-36-53-51-34-44(28-32-60(51)70(62(53)38-57(50)67)46-20-10-5-11-21-46)45-29-33-61-52(35-45)54-37-55-49-23-13-15-25-64(49)72-65(55)40-63(54)71(61)47-30-26-43(27-31-47)66-68-58(41-16-6-3-7-17-41)39-59(69-66)42-18-8-4-9-19-42;1-61(2)50-24-14-12-22-42(50)44-32-47-45-30-39(26-28-54(45)64(56(47)34-51(44)61)41-20-10-5-11-21-41)40-27-29-55-46(31-40)48-33-49-43-23-13-15-25-58(43)66-59(49)36-57(48)65(55)60-62-52(37-16-6-3-7-17-37)35-53(63-60)38-18-8-4-9-19-38;1-61(2)50-24-14-12-22-42(50)44-32-47-45-30-39(26-28-53(45)64(55(47)34-51(44)61)41-20-10-5-11-21-41)40-27-29-54-46(31-40)48-33-49-43-23-13-15-25-57(43)66-58(49)36-56(48)65(54)59-35-52(37-16-6-3-7-17-37)62-60(63-59)38-18-8-4-9-19-38;1-60(2)49-24-14-12-22-41(49)43-32-46-44-30-38(26-28-51(44)64(53(46)34-50(43)60)40-20-10-5-11-21-40)39-27-29-52-45(31-39)47-33-48-42-23-13-15-25-55(42)66-56(48)35-54(47)65(52)59-62-57(36-16-6-3-7-17-36)61-58(63-59)37-18-8-4-9-19-37/h3-40H,1-2H3;2*3-36H,1-2H3;3-35H,1-2H3 |
| InChIKey | RRYZNMKYMUOKGC-UHFFFAOYSA-N |
| XLogP | 64.57 |
| TPSA | 208.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 270 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3457.16 |
| LogP ≤ 5 | 64.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |