C186H117N3O6 — CID 158939023
1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole (PubChem CID 158939023) has the molecular formula C186H117N3O6 and a molecular weight of 2490.00 g/mol. Its IUPAC name is 1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole.
| Compound Name | 1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole |
|---|---|
| PubChem CID | 158939023 |
| Molecular Formula | C186H117N3O6 |
| Molecular Weight | 2490.00 g/mol |
| Exact Mass | 2487.89 |
| IUPAC Name | 1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6ccc(-c7ccccc7)cc6)cc4)cn5-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccccc2)cn3-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc1 |
| InChI | InChI=1S/C74H47NO2.C62H39NO2.C50H31NO2/c1-3-11-48(12-4-1)50-19-23-52(24-20-50)54-27-29-56(30-28-54)58-35-38-70-66(44-58)69(57-33-31-55(32-34-57)53-25-21-51(22-26-53)49-13-5-2-6-14-49)47-75(70)63-42-61(59-36-39-73-67(45-59)64-15-7-9-17-71(64)76-73)41-62(43-63)60-37-40-74-68(46-60)65-16-8-10-18-72(65)77-74;1-3-11-40(12-4-1)42-19-21-44(22-20-42)46-27-30-58-54(36-46)57(45-25-23-43(24-26-45)41-13-5-2-6-14-41)39-63(58)51-34-49(47-28-31-61-55(37-47)52-15-7-9-17-59(52)64-61)33-50(35-51)48-29-32-62-56(38-48)53-16-8-10-18-60(53)65-62;1-3-11-32(12-4-1)34-19-22-46-42(28-34)45(33-13-5-2-6-14-33)31-51(46)39-26-37(35-20-23-49-43(29-35)40-15-7-9-17-47(40)52-49)25-38(27-39)36-21-24-50-44(30-36)41-16-8-10-18-48(41)53-50/h1-47H;1-39H;1-31H |
| InChIKey | JKABKCMGZFSNIY-UHFFFAOYSA-N |
| XLogP | 52.29 |
| TPSA | 93.63 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 195 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2490.00 |
| LogP ≤ 5 | 52.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |