C216H136N12O4 — CID 165003214
2-phenanthren-2-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(8-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 165003214) has the molecular formula C216H136N12O4 and a molecular weight of 2963.54 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(8-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine.
| Compound Name | 2-phenanthren-2-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(8-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine |
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| PubChem CID | 165003214 |
| Molecular Formula | C216H136N12O4 |
| Molecular Weight | 2963.54 g/mol |
| Exact Mass | 2961.08 |
| IUPAC Name | 2-phenanthren-2-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(8-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3cccc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8cc9ccccc9c9ccccc89)n7)ccc6c45)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccc9c(ccc%10ccccc%109)c8)n7)ccc6c45)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccc9ccc(-c%10ccccc%10)cc9c8)n7)ccc6c45)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccc9cccc(-c%10ccccc%10)c9c8)n7)ccc6c45)c3)cc2)cc1 |
| InChI | InChI=1S/2C55H35N3O.2C53H33N3O/c1-4-13-36(14-5-1)37-25-27-38(28-26-37)42-20-10-21-43(33-42)47-23-12-24-50-52(47)48-32-31-45(35-51(48)59-50)55-57-53(41-17-8-3-9-18-41)56-54(58-55)44-30-29-40-19-11-22-46(49(40)34-44)39-15-6-2-7-16-39;1-4-12-36(13-5-1)38-22-24-39(25-23-38)42-18-10-19-44(32-42)48-20-11-21-50-52(48)49-31-30-46(35-51(49)59-50)55-57-53(41-16-8-3-9-17-41)56-54(58-55)45-29-27-40-26-28-43(33-47(40)34-45)37-14-6-2-7-15-37;1-3-11-34(12-4-1)35-21-23-36(24-22-35)39-16-9-17-40(31-39)46-19-10-20-48-50(46)47-30-28-43(33-49(47)57-48)53-55-51(38-14-5-2-6-15-38)54-52(56-53)42-27-29-45-41(32-42)26-25-37-13-7-8-18-44(37)45;1-3-13-34(14-4-1)35-25-27-36(28-26-35)38-18-11-19-39(31-38)43-23-12-24-48-50(43)46-30-29-41(33-49(46)57-48)52-54-51(37-15-5-2-6-16-37)55-53(56-52)47-32-40-17-7-8-20-42(40)44-21-9-10-22-45(44)47/h2*1-35H;2*1-33H |
| InChIKey | IOMJCQXBCIBDJY-UHFFFAOYSA-N |
| XLogP | 57.35 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2963.54 |
| LogP ≤ 5 | 57.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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