C278H172N10O5 — CID 157051844
3-[3-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[4-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[4-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 157051844) has the molecular formula C278H172N10O5 and a molecular weight of 3732.50 g/mol. Its IUPAC name is 3-[3-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[4-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[4-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.
| Compound Name | 3-[3-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[4-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[4-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine |
|---|---|
| PubChem CID | 157051844 |
| Molecular Formula | C278H172N10O5 |
| Molecular Weight | 3732.50 g/mol |
| Exact Mass | 3729.35 |
| IUPAC Name | 3-[3-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[4-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[4-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine |
| SMILES | c1cc(-c2ccc(-c3ccc(-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccc(-c6cccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6)cc5)cnc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5cccc(-c6ccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)c5)cnc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5cccc(-c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)c5)cnc4c3c2)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cnc8c9ccccc9c9ccccc9c8n7)cc6)cc5)cc4)cc3)cccc12 |
| InChI | InChI=1S/3C58H36N2O.2C52H32N2O/c1-3-13-37(14-4-1)43-27-29-48-49-30-28-44(38-15-5-2-6-16-38)35-53(49)57-56(52(48)34-43)59-36-54(60-57)46-22-11-20-42(33-46)40-18-9-17-39(31-40)41-19-10-21-45(32-41)47-24-12-25-51-50-23-7-8-26-55(50)61-58(47)51;1-3-11-37(12-4-1)45-29-31-48-49-32-30-46(38-13-5-2-6-14-38)35-53(49)57-56(52(48)34-45)59-36-54(60-57)42-27-23-40(24-28-42)44-16-9-15-43(33-44)39-21-25-41(26-22-39)47-18-10-19-51-50-17-7-8-20-55(50)61-58(47)51;1-3-11-37(12-4-1)44-29-31-48-49-32-30-45(38-13-5-2-6-14-38)35-53(49)57-56(52(48)34-44)59-36-54(60-57)46-16-9-15-43(33-46)41-23-21-39(22-24-41)40-25-27-42(28-26-40)47-18-10-19-51-50-17-7-8-20-55(50)61-58(47)51;1-3-14-45-42(11-1)43-12-2-4-15-46(43)51-50(45)53-32-48(54-51)38-29-27-36(28-30-38)34-21-19-33(20-22-34)35-23-25-37(26-24-35)39-9-7-10-40(31-39)41-16-8-17-47-44-13-5-6-18-49(44)55-52(41)47;1-3-11-45-42(8-1)43-9-2-4-12-46(43)51-50(45)53-32-48(54-51)40-30-26-38(27-31-40)36-22-18-34(19-23-36)33-16-20-35(21-17-33)37-24-28-39(29-25-37)41-13-7-14-47-44-10-5-6-15-49(44)55-52(41)47/h3*1-36H;2*1-32H |
| InChIKey | AAHJZRNFJSOIGF-UHFFFAOYSA-N |
| XLogP | 75.85 |
| TPSA | 194.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 293 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3732.50 |
| LogP ≤ 5 | 75.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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