C273H165N19OS — CID 157126088
2-fluoranthen-3-yl-4,6-diphenylpyridine;2-fluoranthen-3-yl-4,6-diphenylpyrimidine;2-fluoranthen-3-yl-4,6-diphenyl-1,3,5-triazine;2-fluoranthen-3-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-fluoranthen-3-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-fluoranthen-3-yl-2-pyridinyl)-1,3-benzothiazole;6-(6-fluoranthen-3-yl-2-pyridinyl)-1,3-benzoxazole;6-(6-fluoranthen-3-yl-2-pyridinyl)-1-methylbenzimidazole (PubChem CID 157126088) has the molecular formula C273H165N19OS and a molecular weight of 3759.52 g/mol. Its IUPAC name is 2-fluoranthen-3-yl-4,6-diphenylpyridine;2-fluoranthen-3-yl-4,6-diphenylpyrimidine;2-fluoranthen-3-yl-4,6-diphenyl-1,3,5-triazine;2-fluoranthen-3-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-fluoranthen-3-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-fluoranthen-3-yl-2-pyridinyl)-1,3-benzothiazole;6-(6-fluoranthen-3-yl-2-pyridinyl)-1,3-benzoxazole;6-(6-fluoranthen-3-yl-2-pyridinyl)-1-methylbenzimidazole.
| Compound Name | 2-fluoranthen-3-yl-4,6-diphenylpyridine;2-fluoranthen-3-yl-4,6-diphenylpyrimidine;2-fluoranthen-3-yl-4,6-diphenyl-1,3,5-triazine;2-fluoranthen-3-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-fluoranthen-3-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-fluoranthen-3-yl-2-pyridinyl)-1,3-benzothiazole;6-(6-fluoranthen-3-yl-2-pyridinyl)-1,3-benzoxazole;6-(6-fluoranthen-3-yl-2-pyridinyl)-1-methylbenzimidazole |
|---|---|
| PubChem CID | 157126088 |
| Molecular Formula | C273H165N19OS |
| Molecular Weight | 3759.52 g/mol |
| Exact Mass | 3756.32 |
| IUPAC Name | 2-fluoranthen-3-yl-4,6-diphenylpyridine;2-fluoranthen-3-yl-4,6-diphenylpyrimidine;2-fluoranthen-3-yl-4,6-diphenyl-1,3,5-triazine;2-fluoranthen-3-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-fluoranthen-3-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-fluoranthen-3-yl-2-pyridinyl)-1,3-benzothiazole;6-(6-fluoranthen-3-yl-2-pyridinyl)-1,3-benzoxazole;6-(6-fluoranthen-3-yl-2-pyridinyl)-1-methylbenzimidazole |
| SMILES | Cn1cnc2ccc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)n3)cc21.c1cc(-c2ccc3ncoc3c2)nc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.c1cc(-c2ccc3ncsc3c2)nc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4ccc5c6c(cccc46)-c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1 |
| InChI | InChI=1S/C49H29N3.C43H25N3.C33H21N.C32H20N2.C31H19N3.C29H19N3.C28H16N2O.C28H16N2S/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)47-50-48(33-25-26-40-36-15-5-4-13-34(36)35-14-6-9-18-39(35)45(40)29-33)52-49(51-47)44-28-27-43-38-17-8-7-16-37(38)41-19-10-20-42(44)46(41)43;1-2-11-26(12-3-1)41-44-42(27-21-22-34-30-15-5-4-13-28(30)29-14-6-9-18-33(29)39(34)25-27)46-43(45-41)38-24-23-37-32-17-8-7-16-31(32)35-19-10-20-36(38)40(35)37;1-3-10-22(11-4-1)24-20-31(23-12-5-2-6-13-23)34-32(21-24)27-18-19-30-26-15-8-7-14-25(26)28-16-9-17-29(27)33(28)30;1-3-10-21(11-4-1)29-20-30(22-12-5-2-6-13-22)34-32(33-29)28-19-18-27-24-15-8-7-14-23(24)25-16-9-17-26(28)31(25)27;1-3-10-20(11-4-1)29-32-30(21-12-5-2-6-13-21)34-31(33-29)27-19-18-26-23-15-8-7-14-22(23)24-16-9-17-25(27)28(24)26;1-32-17-30-27-15-12-18(16-28(27)32)25-10-5-11-26(31-25)21-13-14-24-20-7-3-2-6-19(20)22-8-4-9-23(21)29(22)24;2*1-2-6-19-18(5-1)21-7-3-8-22-20(12-13-23(19)28(21)22)25-10-4-9-24(30-25)17-11-14-26-27(15-17)31-16-29-26/h1-29H;1-25H;1-21H;1-20H;1-19H;2-17H,1H3;2*1-16H |
| InChIKey | AINDXWSZEZZCNU-UHFFFAOYSA-N |
| XLogP | 71.05 |
| TPSA | 250.09 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 294 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3759.52 |
| LogP ≤ 5 | 71.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |