C190H114N4O5 — CID 165013690
6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[1,2-e][1,3]benzoxazole;2-phenyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole (PubChem CID 165013690) has the molecular formula C190H114N4O5 and a molecular weight of 2533.02 g/mol. Its IUPAC name is 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[1,2-e][1,3]benzoxazole;2-phenyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole.
| Compound Name | 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[1,2-e][1,3]benzoxazole;2-phenyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole |
|---|---|
| PubChem CID | 165013690 |
| Molecular Formula | C190H114N4O5 |
| Molecular Weight | 2533.02 g/mol |
| Exact Mass | 2530.88 |
| IUPAC Name | 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[1,2-e][1,3]benzoxazole;2-phenyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole |
| SMILES | c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cc6ccccc6c6c5ccc5nc(-c7ccccc7)oc56)c5ccccc45)c3c2)cc1.c1ccc(-c2nc3c(ccc4ccc5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc5c43)o2)cc1.c1ccc(-c2nc3ccc4c(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)cc5ccccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6c7ccccc7c(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc67)cc5c4c3o2)cc1 |
| InChI | InChI=1S/2C51H31NO.C47H27NO2.C41H25NO/c1-3-14-32(15-4-1)35-27-26-33-19-13-25-42(44(33)30-35)47-38-21-9-11-23-40(38)48(41-24-12-10-22-39(41)47)45-31-36-18-7-8-20-37(36)49-43(45)28-29-46-50(49)53-51(52-46)34-16-5-2-6-17-34;1-2-11-37(12-3-1)51-52-46-29-28-36-25-21-34-22-27-40(31-45(34)49(36)50(46)53-51)48-43-16-8-6-14-41(43)47(42-15-7-9-17-44(42)48)35-23-18-33(19-24-35)39-26-20-32-10-4-5-13-38(32)30-39;1-2-12-28(13-3-1)47-48-40-25-24-38-39(26-29-14-4-5-15-31(29)45(38)46(40)50-47)44-36-19-8-6-17-34(36)43(35-18-7-9-20-37(35)44)30-22-23-33-32-16-10-11-21-41(32)49-42(33)27-30;1-3-11-26(12-4-1)37-32-15-7-9-17-34(32)38(35-18-10-8-16-33(35)37)30-21-23-31-29(25-30)20-19-27-22-24-36-40(39(27)31)42-41(43-36)28-13-5-2-6-14-28/h2*1-31H;1-27H;1-25H |
| InChIKey | KBTXLFNVFRBCON-UHFFFAOYSA-N |
| XLogP | 53.31 |
| TPSA | 117.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 199 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2533.02 |
| LogP ≤ 5 | 53.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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