C190H116N16O3 — CID 164992018
3-[4-[11-(3,5-diphenylphenyl)indolo[2,3-a]carbazol-12-yl]-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]benzonitrile;12-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole;5-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 164992018) has the molecular formula C190H116N16O3 and a molecular weight of 2671.13 g/mol. Its IUPAC name is 3-[4-[11-(3,5-diphenylphenyl)indolo[2,3-a]carbazol-12-yl]-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]benzonitrile;12-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole;5-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
| Compound Name | 3-[4-[11-(3,5-diphenylphenyl)indolo[2,3-a]carbazol-12-yl]-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]benzonitrile;12-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole;5-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 164992018 |
| Molecular Formula | C190H116N16O3 |
| Molecular Weight | 2671.13 g/mol |
| Exact Mass | 2668.94 |
| IUPAC Name | 3-[4-[11-(3,5-diphenylphenyl)indolo[2,3-a]carbazol-12-yl]-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]benzonitrile;12-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole;5-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole |
| SMILES | N#Cc1cccc(-c2nc(-c3cccc4oc5cccc(-c6ccccc6)c5c34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c43)n2)c1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6cccc(-c7ccccc7)c6c45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6cccc(-c7ccccc7)c6c45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c54)n3)cc2)cc1 |
| InChI | InChI=1S/C64H38N6O.2C63H39N5O/c65-39-40-17-14-24-44(35-40)62-66-63(53-28-16-32-57-59(53)58-48(27-15-31-56(58)71-57)43-22-8-3-9-23-43)68-64(67-62)70-55-30-13-11-26-50(55)52-34-33-51-49-25-10-12-29-54(49)69(60(51)61(52)70)47-37-45(41-18-4-1-5-19-41)36-46(38-47)42-20-6-2-7-21-42;1-4-17-40(18-5-1)42-33-35-44(36-34-42)61-64-62(51-28-16-32-56-59(51)58-47(27-15-31-55(58)69-56)43-21-8-3-9-22-43)66-63(65-61)68-53-30-13-11-26-50(53)57-54(68)38-37-49-48-25-10-12-29-52(48)67(60(49)57)46-24-14-23-45(39-46)41-19-6-2-7-20-41;1-4-17-40(18-5-1)42-33-35-44(36-34-42)61-64-62(52-28-16-32-56-58(52)57-47(27-15-31-55(57)69-56)43-21-8-3-9-22-43)66-63(65-61)68-54-30-13-11-26-49(54)51-38-37-50-48-25-10-12-29-53(48)67(59(50)60(51)68)46-24-14-23-45(39-46)41-19-6-2-7-20-41/h1-38H;2*1-39H |
| InChIKey | GZLLVZRBBMCECT-UHFFFAOYSA-N |
| XLogP | 48.77 |
| TPSA | 208.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2671.13 |
| LogP ≤ 5 | 48.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |