C165H101N13O — CID 159023975
7-benzo[c]carbazol-7-yl-5-(3-dibenzofuran-2-ylquinoxalin-2-yl)benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-4-yl)quinoxalin-2-yl]benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 159023975) has the molecular formula C165H101N13O and a molecular weight of 2281.71 g/mol. Its IUPAC name is 7-benzo[c]carbazol-7-yl-5-(3-dibenzofuran-2-ylquinoxalin-2-yl)benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-4-yl)quinoxalin-2-yl]benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole.
| Compound Name | 7-benzo[c]carbazol-7-yl-5-(3-dibenzofuran-2-ylquinoxalin-2-yl)benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-4-yl)quinoxalin-2-yl]benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 159023975 |
| Molecular Formula | C165H101N13O |
| Molecular Weight | 2281.71 g/mol |
| Exact Mass | 2279.83 |
| IUPAC Name | 7-benzo[c]carbazol-7-yl-5-(3-dibenzofuran-2-ylquinoxalin-2-yl)benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-4-yl)quinoxalin-2-yl]benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2c(-c3nc4ccccc4nc3-n3c4ccccc4c4cc5cccc(-n6c7ccccc7c7c8ccccc8ccc76)c5cc43)cccc21.c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc2ccccc2nc1-c1ccc2oc3ccccc3c2c1.c1ccc(-n2c3ccccc3c3c(-c4nc5ccccc5nc4-n4c5ccccc5c5cc6cccc(-n7c8ccccc8c8c9ccccc9ccc87)c6cc54)cccc32)cc1 |
| InChI | InChI=1S/C58H35N5.C55H36N4.C52H30N4O/c1-2-18-38(19-3-1)61-49-28-12-7-22-41(49)56-43(24-15-31-52(56)61)57-58(60-47-26-10-9-25-46(47)59-57)63-48-27-11-6-21-40(48)45-34-37-17-14-30-51(44(37)35-54(45)63)62-50-29-13-8-23-42(50)55-39-20-5-4-16-36(39)32-33-53(55)62;1-55(2)42-22-8-5-19-37(42)51-39(21-14-23-43(51)55)53-54(57-45-25-10-9-24-44(45)56-53)59-46-26-11-6-18-36(46)41-31-34-16-13-28-48(40(34)32-50(41)59)58-47-27-12-7-20-38(47)52-35-17-4-3-15-33(35)29-30-49(52)58;1-2-14-34-31(12-1)24-26-46-50(34)37-17-4-9-21-44(37)55(46)45-22-11-13-32-28-39-35-15-3-8-20-43(35)56(47(39)30-38(32)45)52-51(53-41-18-6-7-19-42(41)54-52)33-25-27-49-40(29-33)36-16-5-10-23-48(36)57-49/h1-35H;3-32H,1-2H3;1-30H |
| InChIKey | JUBGFQWIWVQVOV-UHFFFAOYSA-N |
| XLogP | 42.69 |
| TPSA | 124.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2281.71 |
| LogP ≤ 5 | 42.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |