C135H85N5 — CID 158486325
8-(4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline;2-[2,3,7-tris(3-phenylphenyl)-6-(4-phenylphenyl)-1-pyridin-2-ylcyclopenta[a]inden-4-yl]pyridine (PubChem CID 158486325) has the molecular formula C135H85N5 and a molecular weight of 1777.20 g/mol. Its IUPAC name is 8-(4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline;2-[2,3,7-tris(3-phenylphenyl)-6-(4-phenylphenyl)-1-pyridin-2-ylcyclopenta[a]inden-4-yl]pyridine.
| Compound Name | 8-(4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline;2-[2,3,7-tris(3-phenylphenyl)-6-(4-phenylphenyl)-1-pyridin-2-ylcyclopenta[a]inden-4-yl]pyridine |
|---|---|
| PubChem CID | 158486325 |
| Molecular Formula | C135H85N5 |
| Molecular Weight | 1777.20 g/mol |
| Exact Mass | 1775.68 |
| IUPAC Name | 8-(4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline;2-[2,3,7-tris(3-phenylphenyl)-6-(4-phenylphenyl)-1-pyridin-2-ylcyclopenta[a]inden-4-yl]pyridine |
| SMILES | c1ccc(-c2ccc(-c3cc4c(cc3-c3cccc(-c5ccccc5)c3)C3=C(c5ccccn5)C(c5cccc(-c6ccccc6)c5)=C(c5cccc(-c6ccccc6)c5)C3=C4c3ccccn3)cc2)cc1.c1ccc(C2=C3C(=C(c4cccc5ccccc45)c4cc(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)cc43)C(c3cccc4cccnc34)=C2c2cccc3cccnc23)nc1 |
| InChI | InChI=1S/C70H46N2.C65H39N3/c1-5-20-47(21-6-1)51-36-38-52(39-37-51)59-45-61-62(46-60(59)56-31-17-28-53(42-56)48-22-7-2-8-23-48)68-69(64-35-14-16-41-72-64)65(57-32-18-29-54(43-57)49-24-9-3-10-25-49)66(70(68)67(61)63-34-13-15-40-71-63)58-33-19-30-55(44-58)50-26-11-4-12-27-50;1-3-17-45-36-47(31-29-40(45)14-1)53-38-55-56(39-54(53)48-32-30-41-15-2-4-18-46(41)37-48)61-62(57-28-7-8-33-66-57)59(51-26-10-20-43-22-12-34-67-64(43)51)60(52-27-11-21-44-23-13-35-68-65(44)52)63(61)58(55)50-25-9-19-42-16-5-6-24-49(42)50/h1-46H;1-39H |
| InChIKey | HIDIQACIAVQXCI-UHFFFAOYSA-N |
| XLogP | 34.15 |
| TPSA | 64.45 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 140 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1777.20 |
| LogP ≤ 5 | 34.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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