C268H170O8 — CID 160957556
8-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 160957556) has the molecular formula C268H170O8 and a molecular weight of 3518.30 g/mol. Its IUPAC name is 8-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.
| Compound Name | 8-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 160957556 |
| Molecular Formula | C268H170O8 |
| Molecular Weight | 3518.30 g/mol |
| Exact Mass | 3515.29 |
| IUPAC Name | 8-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran |
| SMILES | CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc21.c1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6oc7ccc8ccccc8c7c6c5)c5ccccc45)ccc3oc21.c1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)ccc3oc21 |
| InChI | InChI=1S/C49H32O.C46H26O2.2C45H30O.C42H24O2.C41H28O/c1-49(2)41-24-20-29-11-3-5-13-33(29)47(41)39-23-19-32(28-42(39)49)46-37-17-9-7-15-35(37)45(36-16-8-10-18-38(36)46)31-22-25-43-40(27-31)48-34-14-6-4-12-30(34)21-26-44(48)50-43;1-3-11-31-27(9-1)18-24-42-45(31)39-26-30(20-23-41(39)47-42)44-35-15-7-5-13-33(35)43(34-14-6-8-16-36(34)44)29-19-22-40-38(25-29)37-21-17-28-10-2-4-12-32(28)46(37)48-40;1-45(2)38-18-10-9-13-31(38)32-22-19-29(26-39(32)45)43-35-16-7-5-14-33(35)42(34-15-6-8-17-36(34)43)28-21-23-40-37(25-28)44-30-12-4-3-11-27(30)20-24-41(44)46-40;1-45(2)39-18-10-9-13-31(39)32-21-19-30(25-40(32)45)44-35-16-7-5-14-33(35)43(34-15-6-8-17-36(34)44)29-20-22-41-37(24-29)38-23-27-11-3-4-12-28(27)26-42(38)46-41;1-2-10-28-25(9-1)17-20-34-36-24-27(19-22-39(36)44-42(28)34)41-32-14-5-3-12-30(32)40(31-13-4-6-15-33(31)41)26-18-21-38-35(23-26)29-11-7-8-16-37(29)43-38;1-41(2)35-17-9-7-11-27(35)28-21-19-26(24-36(28)41)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)25-20-22-38-34(23-25)29-12-8-10-18-37(29)42-38/h3-28H,1-2H3;1-26H;2*3-26H,1-2H3;1-24H;3-24H,1-2H3 |
| InChIKey | SWOYXBRCLAHQDR-UHFFFAOYSA-N |
| XLogP | 76.45 |
| TPSA | 105.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 276 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3518.30 |
| LogP ≤ 5 | 76.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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