C346H207N5O10 — CID 162004413
2,7-bis(2,8-diphenyldibenzofuran-4-yl)-9-phenanthren-9-ylcarbazole;2,7-bis(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;3,6-di(dibenzofuran-4-yl)-9-phenanthren-9-ylcarbazole;3,6-di(dibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole (PubChem CID 162004413) has the molecular formula C346H207N5O10 and a molecular weight of 4594.49 g/mol. Its IUPAC name is 2,7-bis(2,8-diphenyldibenzofuran-4-yl)-9-phenanthren-9-ylcarbazole;2,7-bis(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;3,6-di(dibenzofuran-4-yl)-9-phenanthren-9-ylcarbazole;3,6-di(dibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole.
| Compound Name | 2,7-bis(2,8-diphenyldibenzofuran-4-yl)-9-phenanthren-9-ylcarbazole;2,7-bis(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;3,6-di(dibenzofuran-4-yl)-9-phenanthren-9-ylcarbazole;3,6-di(dibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole |
|---|---|
| PubChem CID | 162004413 |
| Molecular Formula | C346H207N5O10 |
| Molecular Weight | 4594.49 g/mol |
| Exact Mass | 4590.58 |
| IUPAC Name | 2,7-bis(2,8-diphenyldibenzofuran-4-yl)-9-phenanthren-9-ylcarbazole;2,7-bis(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;3,6-di(dibenzofuran-4-yl)-9-phenanthren-9-ylcarbazole;3,6-di(dibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)c5cc(-c7cc(-c8ccccc8)cc8c7oc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6c7ccc(-c8cc(-c9ccccc9)cc9c8oc8ccc(-c%10ccccc%10)cc89)cc7n(-c7cc8ccccc8c8ccccc78)c6c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6c7ccc(-c8cc(-c9ccccc9)cc9c8oc8ccc(-c%10ccccc%10)cc89)cc7n(-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc2c(c1)cc(-n1c3ccc(-c4cccc5c4oc4ccccc45)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc31)c1ccccc12.c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12 |
| InChI | InChI=1S/C90H55NO2.C78H47NO2.C74H45NO2.C54H31NO2.C50H29NO2/c1-7-23-56(24-8-1)64-47-74(60-31-15-5-16-32-60)87-81(51-64)83-53-66(58-27-11-3-12-28-58)49-76(89(83)92-87)62-39-43-85-79(45-62)80-46-63(40-44-86(80)91(85)68-41-42-73-71-37-20-19-35-69(71)70-36-21-22-38-72(70)78(73)55-68)77-50-67(59-29-13-4-14-30-59)54-84-82-52-65(57-25-9-2-10-26-57)48-75(88(82)93-90(77)84)61-33-17-6-18-34-61;1-5-17-48(18-6-1)52-31-37-75-69(39-52)71-43-56(50-21-9-3-10-22-50)41-66(77(71)80-75)54-29-34-64-65-35-30-55(46-74(65)79(73(64)45-54)58-33-36-63-61-27-14-13-25-59(61)60-26-15-16-28-62(60)68(63)47-58)67-42-57(51-23-11-4-12-24-51)44-72-70-40-53(49-19-7-2-8-20-49)32-38-76(70)81-78(67)72;1-5-17-46(18-6-1)50-31-35-71-64(37-50)66-41-55(48-21-9-3-10-22-48)39-62(73(66)76-71)53-29-33-60-61-34-30-54(45-70(61)75(69(60)44-53)68-43-52-25-13-14-26-57(52)58-27-15-16-28-59(58)68)63-40-56(49-23-11-4-12-24-49)42-67-65-38-51(47-19-7-2-8-20-47)32-36-72(65)77-74(63)67;1-2-13-39-37(11-1)38-12-3-4-14-40(38)46-31-34(25-26-41(39)46)55-49-27-23-32(35-17-9-19-44-42-15-5-7-21-51(42)56-53(35)44)29-47(49)48-30-33(24-28-50(48)55)36-18-10-20-45-43-16-6-8-22-52(43)57-54(36)45;1-2-12-33-30(11-1)29-46(37-14-4-3-13-36(33)37)51-44-25-23-31(34-17-9-19-40-38-15-5-7-21-47(38)52-49(34)40)27-42(44)43-28-32(24-26-45(43)51)35-18-10-20-41-39-16-6-8-22-48(39)53-50(35)41/h1-55H;1-47H;1-45H;1-31H;1-29H |
| InChIKey | YSQFIBANIGEORL-UHFFFAOYSA-N |
| XLogP | 97.91 |
| TPSA | 156.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 361 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4594.49 |
| LogP ≤ 5 | 97.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |