C178H108O5 — CID 159706352
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 159706352) has the molecular formula C178H108O5 and a molecular weight of 2326.82 g/mol. Its IUPAC name is 2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.
| Compound Name | 2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 159706352 |
| Molecular Formula | C178H108O5 |
| Molecular Weight | 2326.82 g/mol |
| Exact Mass | 2324.82 |
| IUPAC Name | 2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc(-c2ccc3c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5oc6ccccc6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1 |
| InChI | InChI=1S/C52H30O2.C46H28O.C42H26O.C38H24O/c1-2-10-31(11-3-1)34-20-23-41-46(28-34)50(36-22-27-48-45(30-36)43-25-19-33-13-5-7-15-38(33)52(43)54-48)40-17-9-8-16-39(40)49(41)35-21-26-47-44(29-35)42-24-18-32-12-4-6-14-37(32)51(42)53-47;1-2-11-30(12-3-1)45-37-16-8-9-17-38(37)46(39-22-20-35(26-42(39)45)34-19-18-29-10-4-5-13-31(29)24-34)36-21-23-43-40(27-36)41-25-32-14-6-7-15-33(32)28-44(41)47-43;1-3-11-27(12-4-1)31-19-21-35-38(24-31)41(28-13-5-2-6-14-28)33-17-9-10-18-34(33)42(35)32-20-22-39-36(25-32)37-23-29-15-7-8-16-30(29)26-40(37)43-39;1-3-11-25(12-4-1)27-19-21-32-34(23-27)37(26-13-5-2-6-14-26)30-16-7-8-17-31(30)38(32)28-20-22-36-33(24-28)29-15-9-10-18-35(29)39-36/h1-30H;1-28H;1-26H;1-24H |
| InChIKey | MYGMMJPRYSMWOV-UHFFFAOYSA-N |
| XLogP | 51.24 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 183 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2326.82 |
| LogP ≤ 5 | 51.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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