C177H116N6 — CID 159900613
2-(9-phenylcarbazol-3-yl)-9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole;3-[9-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-[2-(9-phenylfluoren-9-yl)phenyl]carbazole (PubChem CID 159900613) has the molecular formula C177H116N6 and a molecular weight of 2326.92 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole;3-[9-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-[2-(9-phenylfluoren-9-yl)phenyl]carbazole.
| Compound Name | 2-(9-phenylcarbazol-3-yl)-9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole;3-[9-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-[2-(9-phenylfluoren-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159900613 |
| Molecular Formula | C177H116N6 |
| Molecular Weight | 2326.92 g/mol |
| Exact Mass | 2324.93 |
| IUPAC Name | 2-(9-phenylcarbazol-3-yl)-9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole;3-[9-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-[2-(9-phenylfluoren-9-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)c7)c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c5c4)ccc32)cc1 |
| InChI | InChI=1S/2C61H40N2.C55H36N2/c1-4-18-41(19-5-1)42-32-36-58-51(38-42)52-40-44(43-33-35-57-50(39-43)49-26-12-16-30-56(49)62(57)46-22-8-3-9-23-46)34-37-59(52)63(58)60-31-17-15-29-55(60)61(45-20-6-2-7-21-45)53-27-13-10-24-47(53)48-25-11-14-28-54(48)61;1-3-16-41(17-4-1)42-30-34-47(35-31-42)62-58-29-14-10-25-52(58)54-38-43(33-37-59(54)62)44-32-36-53-51-24-9-13-28-57(51)63(60(53)39-44)48-21-15-20-46(40-48)61(45-18-5-2-6-19-45)55-26-11-7-22-49(55)50-23-8-12-27-56(50)61;1-3-16-39(17-4-1)55(49-26-11-7-22-43(49)44-23-8-12-27-50(44)55)40-18-15-21-42(36-40)57-51-28-13-9-24-45(51)47-32-30-38(35-54(47)57)37-31-33-53-48(34-37)46-25-10-14-29-52(46)56(53)41-19-5-2-6-20-41/h2*1-40H;1-36H |
| InChIKey | NVXGNQNKLICZQP-UHFFFAOYSA-N |
| XLogP | 45.07 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 183 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2326.92 |
| LogP ≤ 5 | 45.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |