C282H167N3O9 — CID 159826191
2-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-9-phenylcarbazole;9-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole (PubChem CID 159826191) has the molecular formula C282H167N3O9 and a molecular weight of 3741.45 g/mol. Its IUPAC name is 2-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-9-phenylcarbazole;9-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole.
| Compound Name | 2-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-9-phenylcarbazole;9-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159826191 |
| Molecular Formula | C282H167N3O9 |
| Molecular Weight | 3741.45 g/mol |
| Exact Mass | 3738.27 |
| IUPAC Name | 2-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-9-phenylcarbazole;9-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole |
| SMILES | c1cc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)ccc32)cc1.c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc24)cc13.c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc24)cc13.c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc24)cc13.c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc24)cc13 |
| InChI | InChI=1S/3C48H29NO.2C48H28O2.C42H24O2/c1-2-13-31-29-46-42(27-30(31)12-1)41-28-33(24-25-45(41)50-46)48-39-20-5-3-18-37(39)47(38-19-4-6-21-40(38)48)32-14-11-15-34(26-32)49-43-22-9-7-16-35(43)36-17-8-10-23-44(36)49;1-2-12-32-29-46-42(27-31(32)11-1)41-28-33(23-26-45(41)50-46)48-39-17-5-3-15-37(39)47(38-16-4-6-18-40(38)48)30-21-24-34(25-22-30)49-43-19-9-7-13-35(43)36-14-8-10-20-44(36)49;1-2-14-34(15-3-1)49-43-21-11-10-16-35(43)40-27-32(22-24-44(40)49)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)33-23-25-45-41(28-33)42-26-30-12-4-5-13-31(30)29-46(42)50-45;1-2-11-32-28-45-42(26-31(32)10-1)41-27-33(24-25-44(41)49-45)47-38-15-5-3-13-36(38)46(37-14-4-6-16-39(37)47)30-22-20-29(21-23-30)34-17-9-18-40-35-12-7-8-19-43(35)50-48(34)40;1-2-10-32-28-46-42(25-31(32)9-1)41-27-34(22-24-45(41)50-46)48-38-14-5-3-12-36(38)47(37-13-4-6-15-39(37)48)30-19-17-29(18-20-30)33-21-23-44-40(26-33)35-11-7-8-16-43(35)49-44;1-2-11-26-24-39-36(22-25(26)10-1)35-23-27(20-21-38(35)43-39)40-29-13-3-5-15-31(29)41(32-16-6-4-14-30(32)40)34-18-9-17-33-28-12-7-8-19-37(28)44-42(33)34/h3*1-29H;2*1-28H;1-24H |
| InChIKey | NMWCVLOFASSQGL-UHFFFAOYSA-N |
| XLogP | 80.60 |
| TPSA | 133.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 294 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3741.45 |
| LogP ≤ 5 | 80.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|