C234H144O8 — CID 165037000
7-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-3-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 165037000) has the molecular formula C234H144O8 and a molecular weight of 3083.72 g/mol. Its IUPAC name is 7-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-3-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
| Compound Name | 7-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-3-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 165037000 |
| Molecular Formula | C234H144O8 |
| Molecular Weight | 3083.72 g/mol |
| Exact Mass | 3081.09 |
| IUPAC Name | 7-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-3-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7c8ccccc8ccc7c56)c5ccccc45)cc3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7c8ccccc8ccc7c56)c5ccccc45)cc3)cc21.c1ccc2c(c1)ccc1c2oc2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)c21.c1ccc2c(c1)ccc1c2oc2cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c21.c1ccc2c(c1)ccc1c2oc2cccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c21 |
| InChI | InChI=1S/2C51H34O.C48H28O2.2C42H24O2/c1-51(2)44-20-10-9-14-36(44)37-28-27-34(30-45(37)51)31-22-24-33(25-23-31)47-38-15-5-7-17-40(38)48(41-18-8-6-16-39(41)47)42-19-11-21-46-49(42)43-29-26-32-12-3-4-13-35(32)50(43)52-46;1-51(2)44-20-10-9-14-36(44)43-30-34(27-29-45(43)51)31-22-24-33(25-23-31)47-37-15-5-7-17-39(37)48(40-18-8-6-16-38(40)47)41-19-11-21-46-49(41)42-28-26-32-12-3-4-13-35(32)50(42)52-46;1-2-11-33-30(10-1)24-26-40-47-39(17-9-19-44(47)50-48(33)40)46-37-15-5-3-13-35(37)45(36-14-4-6-16-38(36)46)31-22-20-29(21-23-31)32-25-27-43-41(28-32)34-12-7-8-18-42(34)49-43;1-2-11-27-25(10-1)20-23-35-41-34(17-9-19-37(41)44-42(27)35)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)26-21-22-29-28-12-7-8-18-36(28)43-38(29)24-26;1-2-11-27-25(10-1)20-22-34-41-33(17-9-19-38(41)44-42(27)34)40-31-15-5-3-13-29(31)39(30-14-4-6-16-32(30)40)26-21-23-37-35(24-26)28-12-7-8-18-36(28)43-37/h2*3-30H,1-2H3;1-28H;2*1-24H |
| InChIKey | NNMAGHYMWVWXDS-UHFFFAOYSA-N |
| XLogP | 67.21 |
| TPSA | 105.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 242 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3083.72 |
| LogP ≤ 5 | 67.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|