C311H198N10O5 — CID 158983226
3-[2-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[2,8-diphenyl-6-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 158983226) has the molecular formula C311H198N10O5 and a molecular weight of 4155.07 g/mol. Its IUPAC name is 3-[2-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[2,8-diphenyl-6-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.
| Compound Name | 3-[2-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[2,8-diphenyl-6-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine |
|---|---|
| PubChem CID | 158983226 |
| Molecular Formula | C311H198N10O5 |
| Molecular Weight | 4155.07 g/mol |
| Exact Mass | 4151.55 |
| IUPAC Name | 3-[2-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[2,8-diphenyl-6-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine |
| SMILES | Cc1cc(C)c(-c2cc(-c3ccccc3)cc3c2oc2c(-c4cccc(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)c4)cc(-c4ccccc4)cc23)c(C)c1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5cccc(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6cccc(-c7ccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)cc7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6ccccc6-c6ccc(-c7cnc8c9ccccc9c9ccccc9c8n7)cc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6ccccc6-c6ccccc6-c6cnc7c8ccccc8c8ccccc8c7n6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1 |
| InChI | InChI=1S/3C64H40N2O.C61H42N2O.C58H36N2O/c1-3-14-41(15-4-1)45-18-11-21-48(34-45)50-32-33-61-58(37-50)59-39-52(49-22-12-19-46(35-49)42-16-5-2-6-17-42)38-57(64(59)67-61)51-23-13-20-47(36-51)43-28-30-44(31-29-43)60-40-65-62-55-26-9-7-24-53(55)54-25-8-10-27-56(54)63(62)66-60;1-3-17-41(18-4-1)43-21-15-23-45(35-43)47-33-34-61-57(37-47)59-39-48(46-24-16-22-44(36-46)42-19-5-2-6-20-42)38-58(64(59)67-61)53-29-8-7-25-49(53)50-26-9-12-30-54(50)60-40-65-62-55-31-13-10-27-51(55)52-28-11-14-32-56(52)63(62)66-60;1-3-15-41(16-4-1)45-19-13-21-47(35-45)49-33-34-61-57(37-49)59-39-50(48-22-14-20-46(36-48)42-17-5-2-6-18-42)38-58(64(59)67-61)52-24-8-7-23-51(52)43-29-31-44(32-30-43)60-40-65-62-55-27-11-9-25-53(55)54-26-10-12-28-56(54)63(62)66-60;1-37-28-38(2)57(39(3)29-37)55-35-47(41-18-8-5-9-19-41)34-54-53-33-46(40-16-6-4-7-17-40)32-52(60(53)64-61(54)55)44-22-14-20-42(30-44)43-21-15-23-45(31-43)56-36-62-58-50-26-12-10-24-48(50)49-25-11-13-27-51(49)59(58)63-56;1-4-16-37(17-5-1)44-32-50(39-20-8-3-9-21-39)57-52(34-44)53-35-45(38-18-6-2-7-19-38)33-51(58(53)61-57)42-24-14-22-40(30-42)41-23-15-25-43(31-41)54-36-59-55-48-28-12-10-26-46(48)47-27-11-13-29-49(47)56(55)60-54/h3*1-40H;4-36H,1-3H3;1-36H |
| InChIKey | JPGHWTTVAGAUMD-UHFFFAOYSA-N |
| XLogP | 85.11 |
| TPSA | 194.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 326 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4155.07 |
| LogP ≤ 5 | 85.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |