C260H304N8 — CID 159023356
2-[(E)-2-[2-(9,9-didecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-didodecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dihexyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dioctyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline (PubChem CID 159023356) has the molecular formula C260H304N8 and a molecular weight of 3541.35 g/mol. Its IUPAC name is 2-[(E)-2-[2-(9,9-didecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-didodecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dihexyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dioctyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline.
| Compound Name | 2-[(E)-2-[2-(9,9-didecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-didodecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dihexyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dioctyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline |
|---|---|
| PubChem CID | 159023356 |
| Molecular Formula | C260H304N8 |
| Molecular Weight | 3541.35 g/mol |
| Exact Mass | 3538.40 |
| IUPAC Name | 2-[(E)-2-[2-(9,9-didecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-didodecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dihexyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dioctyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline |
| SMILES | CCCCCCC1(CCCCCC)c2cc(-c3cc(/C=C/c4ccc5ccccc5n4)c(C(C)C)cc3/C=C/c3ccc4ccccc4n3)ccc2-c2ccc(C(C)C)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(/C=C/c4ccc5ccccc5n4)c(C(C)C)cc3/C=C/c3ccc4ccccc4n3)ccc2-c2ccc(C(C)C)cc21.CCCCCCCCCCC1(CCCCCCCCCC)c2cc(-c3cc(/C=C/c4ccc5ccccc5n4)c(C(C)C)cc3/C=C/c3ccc4ccccc4n3)ccc2-c2ccc(C(C)C)cc21.CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3cc(/C=C/c4ccc5ccccc5n4)c(C(C)C)cc3/C=C/c3ccc4ccccc4n3)ccc2-c2ccc(C(C)C)cc21 |
| InChI | InChI=1S/C71H88N2.C67H80N2.C63H72N2.C59H64N2/c1-7-9-11-13-15-17-19-21-23-29-47-71(48-30-24-22-20-18-16-14-12-10-8-2)67-51-57(53(3)4)39-45-63(67)64-46-40-60(52-68(64)71)66-50-58(37-43-61-41-35-55-31-25-27-33-69(55)72-61)65(54(5)6)49-59(66)38-44-62-42-36-56-32-26-28-34-70(56)73-62;1-7-9-11-13-15-17-19-25-43-67(44-26-20-18-16-14-12-10-8-2)63-47-53(49(3)4)35-41-59(63)60-42-36-56(48-64(60)67)62-46-54(33-39-57-37-31-51-27-21-23-29-65(51)68-57)61(50(5)6)45-55(62)34-40-58-38-32-52-28-22-24-30-66(52)69-58;1-7-9-11-13-15-21-39-63(40-22-16-14-12-10-8-2)59-43-49(45(3)4)31-37-55(59)56-38-32-52(44-60(56)63)58-42-50(29-35-53-33-27-47-23-17-19-25-61(47)64-53)57(46(5)6)41-51(58)30-36-54-34-28-48-24-18-20-26-62(48)65-54;1-7-9-11-17-35-59(36-18-12-10-8-2)55-39-45(41(3)4)27-33-51(55)52-34-28-48(40-56(52)59)54-38-46(25-31-49-29-23-43-19-13-15-21-57(43)60-49)53(42(5)6)37-47(54)26-32-50-30-24-44-20-14-16-22-58(44)61-50/h25-28,31-46,49-54H,7-24,29-30,47-48H2,1-6H3;21-24,27-42,45-50H,7-20,25-26,43-44H2,1-6H3;17-20,23-38,41-46H,7-16,21-22,39-40H2,1-6H3;13-16,19-34,37-42H,7-12,17-18,35-36H2,1-6H3/b43-37+,44-38+;39-33+,40-34+;35-29+,36-30+;31-25+,32-26+ |
| InChIKey | JTZCULYVBUQRAS-SBIBALKXSA-N |
| XLogP | 78.34 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 92 |
| Heavy Atoms | 268 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3541.35 |
| LogP ≤ 5 | 78.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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