C268H176N24 — CID 157340639
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 157340639) has the molecular formula C268H176N24 and a molecular weight of 3732.52 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole.
| Compound Name | 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole |
|---|---|
| PubChem CID | 157340639 |
| Molecular Formula | C268H176N24 |
| Molecular Weight | 3732.52 g/mol |
| Exact Mass | 3729.45 |
| IUPAC Name | 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4n4c5cc(-c6c(-c7ccccc7)cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)ccc5nc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4n4c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5nc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4n4c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)ccc5nc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccccc4n4c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5nc34)c(-c3ccccc3)c2)cc1 |
| InChI | InChI=1S/C76H50N6.C70H46N6.C64H42N6.C58H38N6/c1-9-25-51(26-10-1)59-42-44-68-70(49-59)81-69-50-60(41-43-67(69)77-76(81)82(68)72-65(55-33-17-5-18-34-55)45-61(52-27-11-2-12-28-52)46-66(72)56-35-19-6-20-36-56)71-63(53-29-13-3-14-30-53)47-62(48-64(71)54-31-15-4-16-32-54)75-79-73(57-37-21-7-22-38-57)78-74(80-75)58-39-23-8-24-40-58;1-8-22-47(23-9-1)54-38-41-63-65(45-54)75-64-46-55(58-39-36-56(42-59(58)49-26-12-3-13-27-49)69-73-67(52-32-18-6-19-33-52)72-68(74-69)53-34-20-7-21-35-53)37-40-62(64)71-70(75)76(63)66-60(50-28-14-4-15-29-50)43-57(48-24-10-2-11-25-48)44-61(66)51-30-16-5-17-31-51;1-7-19-43(20-8-1)52-36-38-57-59(42-52)69-58-41-51(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)35-37-56(58)65-64(69)70(57)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)64-52-29-17-16-28-51(52)63-53-38-46(34-35-50(53)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/h1-50H;1-46H;1-42H;1-38H |
| InChIKey | BGIUTEPTNLYMNT-UHFFFAOYSA-N |
| XLogP | 67.14 |
| TPSA | 243.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 292 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3732.52 |
| LogP ≤ 5 | 67.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |