C173H110N16 — CID 165057639
12-[4-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 165057639) has the molecular formula C173H110N16 and a molecular weight of 2412.89 g/mol. Its IUPAC name is 12-[4-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole.
| Compound Name | 12-[4-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 165057639 |
| Molecular Formula | C173H110N16 |
| Molecular Weight | 2412.89 g/mol |
| Exact Mass | 2410.91 |
| IUPAC Name | 12-[4-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6ccccc6)c5c43)n2)cc1 |
| InChI | InChI=1S/C63H40N6.2C55H35N5/c1-3-17-41(18-4-1)42-31-33-44(34-32-42)61-64-62(45-35-37-46(38-36-45)67-55-27-13-8-22-48(55)49-23-9-14-28-56(49)67)66-63(65-61)69-58-30-16-11-25-51(58)53-40-39-52-50-24-10-15-29-57(50)68(59(52)60(53)69)54-26-12-7-21-47(54)43-19-5-2-6-20-43;1-3-16-38(17-4-1)43-21-9-12-24-48(43)59-49-25-13-10-22-44(49)46-33-34-47-45-23-11-14-26-50(45)60(52(47)51(46)59)55-57-53(39-18-5-2-6-19-39)56-54(58-55)40-30-27-37(28-31-40)42-32-29-36-15-7-8-20-41(36)35-42;1-3-15-36(16-4-1)38-27-30-40(31-28-38)53-56-54(42-32-29-37-17-7-8-20-41(37)35-42)58-55(57-53)60-50-26-14-11-23-45(50)47-34-33-46-44-22-10-13-25-49(44)59(51(46)52(47)60)48-24-12-9-21-43(48)39-18-5-2-6-19-39/h1-40H;2*1-35H |
| InChIKey | QRNBCJYTIVKACT-UHFFFAOYSA-N |
| XLogP | 43.60 |
| TPSA | 150.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2412.89 |
| LogP ≤ 5 | 43.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |