C184H118N22 — CID 158501011
7-(4,6-diphenyl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(6-phenyl-3-pyridinyl)indolo[2,3-b]carbazole (PubChem CID 158501011) has the molecular formula C184H118N22 and a molecular weight of 2637.12 g/mol. Its IUPAC name is 7-(4,6-diphenyl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(6-phenyl-3-pyridinyl)indolo[2,3-b]carbazole.
| Compound Name | 7-(4,6-diphenyl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(6-phenyl-3-pyridinyl)indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 158501011 |
| Molecular Formula | C184H118N22 |
| Molecular Weight | 2637.12 g/mol |
| Exact Mass | 2634.99 |
| IUPAC Name | 7-(4,6-diphenyl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(6-phenyl-3-pyridinyl)indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)cn2)cc1 |
| InChI | InChI=1S/C50H32N6.C49H31N7.C44H28N6.C41H27N3/c1-5-17-33(18-6-1)37-29-42(34-19-7-2-8-20-34)51-47(30-37)55-43-27-15-13-25-38(43)40-31-41-39-26-14-16-28-44(39)56(46(41)32-45(40)55)50-53-48(35-21-9-3-10-22-35)52-49(54-50)36-23-11-4-12-24-36;1-5-17-32(18-6-1)40-30-41(33-19-7-2-8-20-33)51-48(50-40)55-42-27-15-13-25-36(42)38-29-39-37-26-14-16-28-43(37)56(45(39)31-44(38)55)49-53-46(34-21-9-3-10-22-34)52-47(54-49)35-23-11-4-12-24-35;1-4-14-29(15-5-1)37-25-24-32(28-45-37)49-38-22-12-10-20-33(38)35-26-36-34-21-11-13-23-39(34)50(41(36)27-40(35)49)44-47-42(30-16-6-2-7-17-30)46-43(48-44)31-18-8-3-9-19-31;1-4-14-28(15-5-1)30-24-36(29-16-6-2-7-17-29)42-41(25-30)44-38-23-13-11-21-33(38)35-26-34-32-20-10-12-22-37(32)43(39(34)27-40(35)44)31-18-8-3-9-19-31/h1-32H;1-31H;1-28H;1-27H |
| InChIKey | HJWVWQQNXALSGS-UHFFFAOYSA-N |
| XLogP | 44.72 |
| TPSA | 219.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2637.12 |
| LogP ≤ 5 | 44.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |