C166H100N4O4 — CID 158275009
1-(9,10-dinaphthalen-1-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-c]pyridine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 158275009) has the molecular formula C166H100N4O4 and a molecular weight of 2214.65 g/mol. Its IUPAC name is 1-(9,10-dinaphthalen-1-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-c]pyridine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine.
| Compound Name | 1-(9,10-dinaphthalen-1-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-c]pyridine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine |
|---|---|
| PubChem CID | 158275009 |
| Molecular Formula | C166H100N4O4 |
| Molecular Weight | 2214.65 g/mol |
| Exact Mass | 2212.77 |
| IUPAC Name | 1-(9,10-dinaphthalen-1-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-c]pyridine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine |
| SMILES | c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5nccc6c5oc5ccccc56)ccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5nccc6c5oc5ccccc56)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc(-c5nccc6c5oc5ccccc56)cc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4nccc5c4oc4ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/2C45H27NO.C41H25NO.C35H21NO/c1-3-15-31-28(11-1)13-9-20-34(31)42-36-18-5-6-19-37(36)43(35-21-10-14-29-12-2-4-16-32(29)35)40-27-30(23-24-38(40)42)44-45-39(25-26-46-44)33-17-7-8-22-41(33)47-45;1-2-12-30-26-31(21-20-28(30)10-1)42-36-16-5-6-17-37(36)43(35-18-9-13-29-11-3-4-14-33(29)35)38-23-22-32(27-40(38)42)44-45-39(24-25-46-44)34-15-7-8-19-41(34)47-45;1-2-10-29-25-30(22-17-26(29)9-1)39-34-14-5-3-12-32(34)38(33-13-4-6-15-35(33)39)27-18-20-28(21-19-27)40-41-36(23-24-42-40)31-11-7-8-16-37(31)43-41;1-2-10-23-21-24(18-17-22(23)9-1)32-26-12-3-5-14-28(26)33(29-15-6-4-13-27(29)32)34-35-30(19-20-36-34)25-11-7-8-16-31(25)37-35/h2*1-27H;1-25H;1-21H |
| InChIKey | GJMQUBMVMYHVNN-UHFFFAOYSA-N |
| XLogP | 46.41 |
| TPSA | 104.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 174 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2214.65 |
| LogP ≤ 5 | 46.41 |
| 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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