C398H237N5O8 — CID 158130839
3,6-bis(6-phenanthren-2-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 158130839) has the molecular formula C398H237N5O8 and a molecular weight of 5217.30 g/mol. Its IUPAC name is 3,6-bis(6-phenanthren-2-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
| Compound Name | 3,6-bis(6-phenanthren-2-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158130839 |
| Molecular Formula | C398H237N5O8 |
| Molecular Weight | 5217.30 g/mol |
| Exact Mass | 5212.83 |
| IUPAC Name | 3,6-bis(6-phenanthren-2-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7c6oc6c(-c8cc9ccccc9c9ccccc89)cccc67)cc5c5cc(-c6cccc7c6oc6c(-c8cc9ccccc9c9ccccc89)cccc67)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7c6oc6c(-c8ccc9c(ccc%10ccccc%109)c8)cccc67)cc5c5cc(-c6cccc7c6oc6c(-c8ccc9c(ccc%10ccccc%109)c8)cccc67)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7c6oc6c(-c8ccc9ccc%10ccccc%10c9c8)cccc67)cc5c5cc(-c6cccc7c6oc6c(-c8ccc9ccc%10ccccc%10c9c8)cccc67)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6c(-c8cc9ccccc9c9ccccc89)cccc67)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6c(-c8ccc9ccc%10ccccc%10c9c8)cccc67)ccc54)cc3)c3ccccc23)cc1 |
| InChI | InChI=1S/3C90H53NO2.2C64H39NO/c1-2-18-56(19-3-1)85-73-22-8-10-24-75(73)86(76-25-11-9-23-74(76)85)57-38-44-64(45-39-57)91-83-48-42-62(71-28-14-32-79-77-30-12-26-69(87(77)92-89(71)79)60-40-46-67-58(50-60)36-34-54-16-4-6-20-65(54)67)52-81(83)82-53-63(43-49-84(82)91)72-29-15-33-80-78-31-13-27-70(88(78)93-90(72)80)61-41-47-68-59(51-61)37-35-55-17-5-7-21-66(55)68;1-2-18-58(19-3-1)85-71-22-8-10-24-73(71)86(74-25-11-9-23-72(74)85)59-42-46-64(47-43-59)91-83-48-44-62(69-28-14-32-77-75-30-12-26-67(87(75)92-89(69)77)60-40-38-56-36-34-54-16-4-6-20-65(54)79(56)50-60)52-81(83)82-53-63(45-49-84(82)91)70-29-15-33-78-76-31-13-27-68(88(76)93-90(70)78)61-41-39-57-37-35-55-17-5-7-21-66(55)80(57)51-61;1-2-20-54(21-3-1)85-69-30-12-14-32-71(69)86(72-33-15-13-31-70(72)85)55-42-46-60(47-43-55)91-83-48-44-58(63-34-16-36-73-75-38-18-40-77(89(75)92-87(63)73)79-50-56-22-4-6-24-61(56)65-26-8-10-28-67(65)79)52-81(83)82-53-59(45-49-84(82)91)64-35-17-37-74-76-39-19-41-78(90(76)93-88(64)74)80-51-57-23-5-7-25-62(57)66-27-9-11-29-68(66)80;1-2-15-42(16-3-1)61-51-19-6-8-21-53(51)62(54-22-9-7-20-52(54)61)43-32-35-46(36-33-43)65-59-27-11-10-18-50(59)58-39-45(34-37-60(58)65)49-24-13-26-56-55-25-12-23-48(63(55)66-64(49)56)44-31-30-41-29-28-40-14-4-5-17-47(40)57(41)38-44;1-2-16-40(17-3-1)61-50-23-8-10-25-52(50)62(53-26-11-9-24-51(53)61)41-32-35-44(36-33-41)65-59-31-13-12-22-49(59)58-39-43(34-37-60(58)65)46-27-14-28-54-55-29-15-30-56(64(55)66-63(46)54)57-38-42-18-4-5-19-45(42)47-20-6-7-21-48(47)57/h3*1-53H;2*1-39H |
| InChIKey | FSTGQCSRRMFCIO-UHFFFAOYSA-N |
| XLogP | 112.44 |
| TPSA | 129.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 411 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5217.30 |
| LogP ≤ 5 | 112.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |