C70H52N2 — CID 89071765
10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine (PubChem CID 89071765) has the molecular formula C70H52N2 and a molecular weight of 921.20 g/mol. Its IUPAC name is 10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine.
| Compound Name | 10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine |
|---|---|
| PubChem CID | 89071765 |
| Molecular Formula | C70H52N2 |
| Molecular Weight | 921.20 g/mol |
| Exact Mass | 920.41 |
| IUPAC Name | 10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine |
| SMILES | C1=CC2=C(CC1)Cc1ccccc1N2c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5c6ccccc6Cc6ccccc65)ccc3-4)ccc1-2 |
| InChI | InChI=1S/C70H52N2/c1-2-18-52-42-69(41-51(52)17-1)61-35-45(27-31-57(61)59-33-29-55(39-63(59)69)71-65-21-9-5-13-47(65)37-48-14-6-10-22-66(48)71)25-26-46-28-32-58-60-34-30-56(72-67-23-11-7-15-49(67)38-50-16-8-12-24-68(50)72)40-64(60)70(62(58)36-46)43-53-19-3-4-20-54(53)44-70/h1-7,9-15,17-36,39-40H,8,16,37-38,41-44H2/b26-25+ |
| InChIKey | WFQMKVUWRMXMOS-OCEACIFDSA-N |
| XLogP | 16.66 |
| TPSA | 6.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 72 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 921.20 |
| LogP ≤ 5 | 16.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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