C210H140N18 — CID 161475184
2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 161475184) has the molecular formula C210H140N18 and a molecular weight of 2915.56 g/mol. Its IUPAC name is 2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 161475184 |
| Molecular Formula | C210H140N18 |
| Molecular Weight | 2915.56 g/mol |
| Exact Mass | 2913.15 |
| IUPAC Name | 2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)n3)c2)cc1 |
| InChI | InChI=1S/2C72H48N6.C66H44N6/c1-5-21-49(22-6-1)53-29-15-35-59(43-53)67-73-68(60-36-16-30-54(44-60)50-23-7-2-8-24-50)76-71(75-67)63-39-19-33-57(47-63)65-41-13-14-42-66(65)58-34-20-40-64(48-58)72-77-69(61-37-17-31-55(45-61)51-25-9-3-10-26-51)74-70(78-72)62-38-18-32-56(46-62)52-27-11-4-12-28-52;1-5-23-49(24-6-1)53-31-19-35-57(45-53)67-73-68(58-36-20-32-54(46-58)50-25-7-2-8-26-50)76-71(75-67)65-43-17-15-41-63(65)61-39-13-14-40-62(61)64-42-16-18-44-66(64)72-77-69(59-37-21-33-55(47-59)51-27-9-3-10-28-51)74-70(78-72)60-38-22-34-56(48-60)52-29-11-4-12-30-52;1-5-21-45(22-6-1)49-29-17-33-53(41-49)61-67-62(54-34-18-30-50(42-54)46-23-7-2-8-24-46)70-65(69-61)59-39-15-13-37-57(59)58-38-14-16-40-60(58)66-71-63(55-35-19-31-51(43-55)47-25-9-3-10-26-47)68-64(72-66)56-36-20-32-52(44-56)48-27-11-4-12-28-48/h2*1-48H;1-44H |
| InChIKey | WDPSMYZXMMVEDK-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 |