C140H91N19 — CID 164973724
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;1-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline;9-[3-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]carbazole (PubChem CID 164973724) has the molecular formula C140H91N19 and a molecular weight of 2039.40 g/mol. Its IUPAC name is 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;1-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline;9-[3-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]carbazole.
| Compound Name | 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;1-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline;9-[3-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]carbazole |
|---|---|
| PubChem CID | 164973724 |
| Molecular Formula | C140H91N19 |
| Molecular Weight | 2039.40 g/mol |
| Exact Mass | 2037.77 |
| IUPAC Name | 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;1-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline;9-[3-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccn4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc(-c5ccccn5)n4)nc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc6ccccc56)cc(-c5nccc6ccccc56)n4)nc3)n2)cc1 |
| InChI | InChI=1S/C48H31N7.C48H32N6.C44H28N6/c1-3-14-32(15-4-1)46-52-47(33-16-5-2-6-17-33)54-48(53-46)35-25-26-41(50-31-35)43-30-36(29-42(51-43)40-22-11-12-27-49-40)34-18-13-19-37(28-34)55-44-23-9-7-20-38(44)39-21-8-10-24-45(39)55;1-5-15-33(16-6-1)38-27-39(34-17-7-2-8-18-34)29-40(28-38)41-30-44(42-23-13-14-26-49-42)51-45(31-41)43-25-24-37(32-50-43)48-53-46(35-19-9-3-10-20-35)52-47(54-48)36-21-11-4-12-22-36;1-3-14-31(15-4-1)42-48-43(32-16-5-2-6-17-32)50-44(49-42)33-22-23-38(46-28-33)39-26-34(36-21-11-18-29-12-7-9-19-35(29)36)27-40(47-39)41-37-20-10-8-13-30(37)24-25-45-41/h1-31H;1-32H;1-28H |
| InChIKey | DMDZXRNCGZBQES-UHFFFAOYSA-N |
| XLogP | 32.91 |
| TPSA | 236.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 159 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2039.40 |
| LogP ≤ 5 | 32.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |