C276H160O12 — CID 161432502
2-(10-dibenzofuran-2-ylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;2-[4-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;6-(10-naphtho[2,3-b][1]benzofuran-6-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[4-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 161432502) has the molecular formula C276H160O12 and a molecular weight of 3668.30 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-ylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;2-[4-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;6-(10-naphtho[2,3-b][1]benzofuran-6-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[4-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.
| Compound Name | 2-(10-dibenzofuran-2-ylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;2-[4-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;6-(10-naphtho[2,3-b][1]benzofuran-6-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[4-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran |
|---|---|
| PubChem CID | 161432502 |
| Molecular Formula | C276H160O12 |
| Molecular Weight | 3668.30 g/mol |
| Exact Mass | 3665.19 |
| IUPAC Name | 2-(10-dibenzofuran-2-ylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;2-[4-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;6-(10-naphtho[2,3-b][1]benzofuran-6-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[4-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran |
| SMILES | c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)c3oc4ccccc4c3cc2c1.c1ccc2c(c1)ccc1oc3ccc(-c4c5ccccc5c(-c5ccc6oc7ccc8ccccc8c7c6c5)c5ccccc45)cc3c12.c1ccc2c(c1)ccc1oc3ccc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7ccc8oc9ccc%10ccccc%10c9c8c7)cc6)c6ccccc56)cc4)cc3c12.c1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)cccc12.c1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccccc45)cc3)cc12 |
| InChI | InChI=1S/C58H34O2.C50H30O2.2C46H26O2.2C38H22O2/c1-3-11-43-37(9-1)25-31-53-57(43)49-33-41(27-29-51(49)59-53)35-17-21-39(22-18-35)55-45-13-5-7-15-47(45)56(48-16-8-6-14-46(48)55)40-23-19-36(20-24-40)42-28-30-52-50(34-42)58-44-12-4-2-10-38(44)26-32-54(58)60-52;1-2-12-40-39(11-1)49(33-21-17-31(18-22-33)35-25-27-47-43(29-35)37-9-5-7-15-45(37)51-47)41-13-3-4-14-42(41)50(40)34-23-19-32(20-24-34)36-26-28-48-44(30-36)38-10-6-8-16-46(38)52-48;1-3-15-29-27(13-1)25-37-31-17-9-11-23-39(31)47-45(37)43(29)41-33-19-5-7-21-35(33)42(36-22-8-6-20-34(36)41)44-30-16-4-2-14-28(30)26-38-32-18-10-12-24-40(32)48-46(38)44;1-3-11-31-27(9-1)17-23-41-45(31)37-25-29(19-21-39(37)47-41)43-33-13-5-7-15-35(33)44(36-16-8-6-14-34(36)43)30-20-22-40-38(26-30)46-32-12-4-2-10-28(32)18-24-42(46)48-40;1-2-14-26-25(13-1)35(31-19-9-17-29-23-11-5-7-21-33(23)39-37(29)31)27-15-3-4-16-28(27)36(26)32-20-10-18-30-24-12-6-8-22-34(24)40-38(30)32;1-2-12-28-27(11-1)37(23-17-19-35-31(21-23)25-9-5-7-15-33(25)39-35)29-13-3-4-14-30(29)38(28)24-18-20-36-32(22-24)26-10-6-8-16-34(26)40-36/h1-34H;1-30H;2*1-26H;2*1-22H |
| InChIKey | VYFAEVJCTLESHD-UHFFFAOYSA-N |
| XLogP | 80.34 |
| TPSA | 157.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 288 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3668.30 |
| LogP ≤ 5 | 80.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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