C258H170N22 — CID 162155487
5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 162155487) has the molecular formula C258H170N22 and a molecular weight of 3578.35 g/mol. Its IUPAC name is 5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole.
| Compound Name | 5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole |
|---|---|
| PubChem CID | 162155487 |
| Molecular Formula | C258H170N22 |
| Molecular Weight | 3578.35 g/mol |
| Exact Mass | 3575.40 |
| IUPAC Name | 5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4n4c5cc(-c6ccccc6)ccc5nc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4n4c5ccccc5nc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccc3nc4n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc(-c6c(-c7ccccc7)cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1.c1ccc(-c2ccc3nc4n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1 |
| InChI | InChI=1S/C71H47N5.C65H43N5.C64H42N6.C58H38N6/c1-8-23-48(24-9-1)55-39-41-62-66(45-55)75-67-46-56(40-42-65(67)76(71(75)74-62)69-58(49-25-10-2-11-26-49)37-22-38-59(69)50-27-12-3-13-28-50)68-60(51-29-14-4-15-30-51)43-57(44-61(68)52-31-16-5-17-32-52)64-47-63(53-33-18-6-19-34-53)72-70(73-64)54-35-20-7-21-36-54;1-7-20-44(21-8-1)50-35-38-57-61(41-50)69-62-42-51(36-39-60(62)70(65(69)68-57)63-54(45-22-9-2-10-23-45)32-19-33-55(63)46-24-11-3-12-25-46)53-37-34-52(40-56(53)47-26-13-4-14-27-47)59-43-58(48-28-15-5-16-29-48)66-64(67-59)49-30-17-6-18-31-49;1-7-19-43(20-8-1)51-35-37-56-58(41-51)69-59-42-52(45-31-33-50(34-32-45)63-67-61(48-27-15-5-16-28-48)66-62(68-63)49-29-17-6-18-30-49)36-38-57(59)70(64(69)65-56)60-54(46-23-11-3-12-24-46)39-53(44-21-9-2-10-22-44)40-55(60)47-25-13-4-14-26-47;1-6-18-39(19-7-1)47-36-48(41-20-8-2-9-21-41)54(49(37-47)42-22-10-3-11-23-42)64-52-35-34-46(38-53(52)63-51-29-17-16-28-50(51)59-58(63)64)40-30-32-45(33-31-40)57-61-55(43-24-12-4-13-25-43)60-56(62-57)44-26-14-5-15-27-44/h1-47H;1-43H;1-42H;1-38H |
| InChIKey | ZLTRKQRXIYXMJN-UHFFFAOYSA-N |
| XLogP | 65.02 |
| TPSA | 217.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 280 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3578.35 |
| LogP ≤ 5 | 65.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |