C120H75N27 — CID 159643946
2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline (PubChem CID 159643946) has the molecular formula C120H75N27 and a molecular weight of 1895.11 g/mol. Its IUPAC name is 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline.
| Compound Name | 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline |
|---|---|
| PubChem CID | 159643946 |
| Molecular Formula | C120H75N27 |
| Molecular Weight | 1895.11 g/mol |
| Exact Mass | 1893.67 |
| IUPAC Name | 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)nc4)nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)n3)cn2)nc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)nc(-c4ccc(-c5ccccn5)cn4)n3)nc2)nc1.c1cncc(-c2ccc(-c3nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)nc(-c4ccc(-c5cccnc5)cn4)n3)nc2)c1 |
| InChI | InChI=1S/3C40H25N9/c1-2-11-37-26(6-1)12-15-33-21-36(48-49(33)37)27-7-3-8-28(20-27)38-45-39(34-16-13-31(24-43-34)29-9-4-18-41-22-29)47-40(46-38)35-17-14-32(25-44-35)30-10-5-19-42-23-30;1-2-13-37-26(8-1)14-17-31-23-36(48-49(31)37)27-9-7-10-28(22-27)38-45-39(29-15-18-34(43-24-29)32-11-3-5-20-41-32)47-40(46-38)30-16-19-35(44-25-30)33-12-4-6-21-42-33;1-2-13-37-26(8-1)14-17-31-23-36(48-49(31)37)27-9-7-10-28(22-27)38-45-39(34-18-15-29(24-43-34)32-11-3-5-20-41-32)47-40(46-38)35-19-16-30(25-44-35)33-12-4-6-21-42-33/h3*1-25H |
| InChIKey | MQSDNMGGQYYBOV-UHFFFAOYSA-N |
| XLogP | 24.76 |
| TPSA | 322.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1895.11 |
| LogP ≤ 5 | 24.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |