C216H144N18 — CID 158915777
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 158915777) has the molecular formula C216H144N18 and a molecular weight of 2991.65 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 158915777 |
| Molecular Formula | C216H144N18 |
| Molecular Weight | 2991.65 g/mol |
| Exact Mass | 2989.18 |
| IUPAC Name | 2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8nc(-c9cccc(-c%10ccccc%10)c9)nc(-c9cccc(-c%10ccccc%10)c9)n8)c7)c6)c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8cccc(-c9ccccc9)c8)nc(-c8cccc(-c9ccccc9)c8)n7)c6)c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5)c4)n3)cc2)cc1 |
| InChI | InChI=1S/C78H52N6.C72H48N6.C66H44N6/c1-5-20-53(21-6-1)57-42-44-58(45-43-57)73-79-74(68-37-15-28-59(48-68)54-22-7-2-8-23-54)81-75(80-73)71-40-18-35-66(51-71)64-33-13-31-62(46-64)63-32-14-34-65(47-63)67-36-19-41-72(52-67)78-83-76(69-38-16-29-60(49-69)55-24-9-3-10-25-55)82-77(84-78)70-39-17-30-61(50-70)56-26-11-4-12-27-56;1-5-19-49(20-6-1)53-39-41-54(42-40-53)67-73-68(62-34-14-27-55(44-62)50-21-7-2-8-22-50)75-69(74-67)65-37-17-32-60(47-65)58-30-13-31-59(43-58)61-33-18-38-66(48-61)72-77-70(63-35-15-28-56(45-63)51-23-9-3-10-24-51)76-71(78-72)64-36-16-29-57(46-64)52-25-11-4-12-26-52;1-5-18-45(19-6-1)49-36-38-50(39-37-49)61-67-62(56-31-13-26-51(40-56)46-20-7-2-8-21-46)69-63(68-61)59-34-16-29-54(43-59)55-30-17-35-60(44-55)66-71-64(57-32-14-27-52(41-57)47-22-9-3-10-23-47)70-65(72-66)58-33-15-28-53(42-58)48-24-11-4-12-25-48/h1-52H;1-48H;1-44H |
| InChIKey | JHFAUIZZTJWDMT-UHFFFAOYSA-N |
| XLogP | 54.18 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 234 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2991.65 |
| LogP ≤ 5 | 54.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |