C174H112N12O — CID 157317416
3-(9-dibenzofuran-4-ylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;2-phenyl-7-(9-phenylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 157317416) has the molecular formula C174H112N12O and a molecular weight of 2386.89 g/mol. Its IUPAC name is 3-(9-dibenzofuran-4-ylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;2-phenyl-7-(9-phenylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 3-(9-dibenzofuran-4-ylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;2-phenyl-7-(9-phenylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 157317416 |
| Molecular Formula | C174H112N12O |
| Molecular Weight | 2386.89 g/mol |
| Exact Mass | 2384.91 |
| IUPAC Name | 3-(9-dibenzofuran-4-ylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;2-phenyl-7-(9-phenylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc3c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5cc(-c6ccccc6)ccc5c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(C6(c7cccc8c7oc7ccccc78)c7ccccc7-c7ccccc76)ccc54)n3)c2)cc1 |
| InChI | InChI=1S/C58H36N4O.2C58H38N4/c1-3-17-37(18-4-1)39-21-15-22-40(35-39)56-59-55(38-19-5-2-6-20-38)60-57(61-56)62-51-31-13-9-25-44(51)47-36-41(33-34-52(47)62)58(48-28-11-7-23-42(48)43-24-8-12-29-49(43)58)50-30-16-27-46-45-26-10-14-32-53(45)63-54(46)50;1-5-18-39(19-6-1)42-24-17-25-44(36-42)56-59-55(41-22-9-3-10-23-41)60-57(61-56)62-53-37-43(40-20-7-2-8-21-40)32-34-49(53)50-35-33-46(38-54(50)62)58(45-26-11-4-12-27-45)51-30-15-13-28-47(51)48-29-14-16-31-52(48)58;1-5-17-39(18-6-1)43-31-35-49-50-36-32-45(58(44-23-11-4-12-24-44)51-27-15-13-25-47(51)48-26-14-16-28-52(48)58)38-54(50)62(53(49)37-43)46-33-29-42(30-34-46)57-60-55(40-19-7-2-8-20-40)59-56(61-57)41-21-9-3-10-22-41/h1-36H;2*1-38H |
| InChIKey | BDTPUFVRMQKVGK-UHFFFAOYSA-N |
| XLogP | 42.23 |
| TPSA | 143.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 187 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2386.89 |
| LogP ≤ 5 | 42.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |