C254H171F6N15O5 — CID 160836391
5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 160836391) has the molecular formula C254H171F6N15O5 and a molecular weight of 3627.25 g/mol. Its IUPAC name is 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
| Compound Name | 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine |
|---|---|
| PubChem CID | 160836391 |
| Molecular Formula | C254H171F6N15O5 |
| Molecular Weight | 3627.25 g/mol |
| Exact Mass | 3624.35 |
| IUPAC Name | 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine |
| SMILES | FC(F)(F)C(c1ccc(Oc2ccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)cn2)cc1)(c1ccc(Oc2ccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)cn2)cc1)C(F)(F)F.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5ccc(OCCOc6ccc(-c7cccc(-c8cc(-c9cccc(-c%10cccnc%10)c9)cc(-c9cccc(-c%10cccnc%10)c9)c8)c7)cc6)cc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc(Oc6cccc(-c7cccc(-c8cc(-c9cccc(-c%10cccnc%10)c9)cc(-c9cccc(-c%10cccnc%10)c9)c8)c7)c6)nc5)c4)c3)c2)c1 |
| InChI | InChI=1S/C93H60F6N6O2.C82H58N4O2.C79H53N5O/c94-92(95,96)91(93(97,98)99,85-29-33-87(34-30-85)106-89-37-27-77(59-104-89)65-15-5-21-71(47-65)83-51-79(67-17-1-11-61(43-67)73-23-7-39-100-55-73)49-80(52-83)68-18-2-12-62(44-68)74-24-8-40-101-56-74)86-31-35-88(36-32-86)107-90-38-28-78(60-105-90)66-16-6-22-72(48-66)84-53-81(69-19-3-13-63(45-69)75-25-9-41-102-57-75)50-82(54-84)70-20-4-14-64(46-70)76-26-10-42-103-58-76;1-11-59(41-65(17-1)75-47-77(67-19-3-13-61(43-67)71-23-7-35-83-53-71)51-78(48-75)68-20-4-14-62(44-68)72-24-8-36-84-54-72)57-27-31-81(32-28-57)87-39-40-88-82-33-29-58(30-34-82)60-12-2-18-66(42-60)76-49-79(69-21-5-15-63(45-69)73-25-9-37-85-55-73)52-80(50-76)70-22-6-16-64(46-70)74-26-10-38-86-56-74;1-12-54(36-60(18-1)72-42-73(61-19-2-13-55(37-61)67-25-8-32-80-49-67)44-74(43-72)62-20-3-14-56(38-62)68-26-9-33-81-50-68)66-24-7-29-78(48-66)85-79-31-30-71(53-84-79)59-17-6-23-65(41-59)77-46-75(63-21-4-15-57(39-63)69-27-10-34-82-51-69)45-76(47-77)64-22-5-16-58(40-64)70-28-11-35-83-52-70/h1-60H;1-38,41-56H,39-40H2;1-53H |
| InChIKey | SHLQMNGZSSAQCN-UHFFFAOYSA-N |
| XLogP | 66.24 |
| TPSA | 239.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 280 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3627.25 |
| LogP ≤ 5 | 66.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |