C210H140N18 — CID 163754127
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 163754127) has the molecular formula C210H140N18 and a molecular weight of 2915.56 g/mol. Its IUPAC name is 2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163754127 |
| Molecular Formula | C210H140N18 |
| Molecular Weight | 2915.56 g/mol |
| Exact Mass | 2913.15 |
| IUPAC Name | 2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c7)c6)c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c7)c6)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c7)c6)c5)c4)n3)c2)cc1 |
| InChI | InChI=1S/2C72H48N6.C66H44N6/c1-5-20-49(21-6-1)53-28-16-38-63(45-53)70-76-71(64-39-17-29-54(46-64)50-22-7-2-8-23-50)78-72(77-70)66-41-19-37-62(48-66)60-35-15-33-58(44-60)56-31-13-30-55(42-56)57-32-14-34-59(43-57)61-36-18-40-65(47-61)69-74-67(51-24-9-3-10-25-51)73-68(75-69)52-26-11-4-12-27-52;1-5-19-49(20-6-1)51-39-41-54(42-40-51)69-76-71(64-36-16-27-55(46-64)50-21-7-2-8-22-50)78-72(77-69)66-38-18-35-63(48-66)61-33-15-31-59(45-61)57-29-13-28-56(43-57)58-30-14-32-60(44-58)62-34-17-37-65(47-62)70-74-67(52-23-9-3-10-24-52)73-68(75-70)53-25-11-4-12-26-53;1-5-18-45(19-6-1)46-36-38-50(39-37-46)64-68-63(49-24-11-4-12-25-49)71-66(72-64)60-35-17-33-58(44-60)56-31-15-29-54(42-56)52-27-13-26-51(40-52)53-28-14-30-55(41-53)57-32-16-34-59(43-57)65-69-61(47-20-7-2-8-21-47)67-62(70-65)48-22-9-3-10-23-48/h2*1-48H;1-44H |
| InChIKey | LSNUILALDSYWPE-UHFFFAOYSA-N |
| XLogP | 52.51 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2915.56 |
| LogP ≤ 5 | 52.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |