C212H132N12O4 — CID 158189560
2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 158189560) has the molecular formula C212H132N12O4 and a molecular weight of 2911.47 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine |
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| PubChem CID | 158189560 |
| Molecular Formula | C212H132N12O4 |
| Molecular Weight | 2911.47 g/mol |
| Exact Mass | 2909.05 |
| IUPAC Name | 2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4c5ccccc5c(-c5ccccc5)c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4c5ccccc5c(-c5ccccc5)c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1 |
| InChI | InChI=1S/4C53H33N3O/c1-3-16-34(17-4-1)36-20-13-22-38(32-36)51-54-52(56-53(55-51)46-30-15-29-45-40-24-11-12-31-47(40)57-50(45)46)39-23-14-21-37(33-39)49-43-27-9-7-25-41(43)48(35-18-5-2-6-19-35)42-26-8-10-28-44(42)49;1-3-15-34(16-4-1)35-29-31-37(32-30-35)51-54-52(56-53(55-51)46-27-14-26-45-40-21-11-12-28-47(40)57-50(45)46)39-20-13-19-38(33-39)49-43-24-9-7-22-41(43)48(36-17-5-2-6-18-36)42-23-8-10-25-44(42)49;1-3-17-34(18-4-1)36-21-15-22-37(33-36)51-54-52(56-53(55-51)46-31-16-30-44-38-23-13-14-32-47(38)57-50(44)46)45-29-12-11-28-43(45)49-41-26-9-7-24-39(41)48(35-19-5-2-6-20-35)40-25-8-10-27-42(40)49;1-3-16-34(17-4-1)35-30-32-37(33-31-35)51-54-52(56-53(55-51)46-28-15-27-44-38-20-13-14-29-47(38)57-50(44)46)45-26-12-11-25-43(45)49-41-23-9-7-21-39(41)48(36-18-5-2-6-19-36)40-22-8-10-24-42(40)49/h4*1-33H |
| InChIKey | FZOOZYYUNMEQCT-UHFFFAOYSA-N |
| XLogP | 56.32 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2911.47 |
| LogP ≤ 5 | 56.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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