C287H170N10O3S — CID 158014798
2-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;3-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]quinoline;3-(3-dibenzofuran-4-ylpyren-1-yl)quinoline;2-[3-(4-dibenzothiophen-4-ylphenyl)pyren-1-yl]pyridine;9-[3-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-6-ylpyren-1-yl)phenyl]carbazole (PubChem CID 158014798) has the molecular formula C287H170N10O3S and a molecular weight of 3838.65 g/mol. Its IUPAC name is 2-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;3-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]quinoline;3-(3-dibenzofuran-4-ylpyren-1-yl)quinoline;2-[3-(4-dibenzothiophen-4-ylphenyl)pyren-1-yl]pyridine;9-[3-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-6-ylpyren-1-yl)phenyl]carbazole.
| Compound Name | 2-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;3-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]quinoline;3-(3-dibenzofuran-4-ylpyren-1-yl)quinoline;2-[3-(4-dibenzothiophen-4-ylphenyl)pyren-1-yl]pyridine;9-[3-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-6-ylpyren-1-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158014798 |
| Molecular Formula | C287H170N10O3S |
| Molecular Weight | 3838.65 g/mol |
| Exact Mass | 3835.32 |
| IUPAC Name | 2-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;3-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]quinoline;3-(3-dibenzofuran-4-ylpyren-1-yl)quinoline;2-[3-(4-dibenzothiophen-4-ylphenyl)pyren-1-yl]pyridine;9-[3-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-6-ylpyren-1-yl)phenyl]carbazole |
| SMILES | c1cc(-c2cc(-c3cnc4ccccc4c3)c3ccc4cccc5ccc2c3c54)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4cccc5ccc2c3c45)nc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4cccc5ccc2c3c45)nc1.c1ccc2ncc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5cccc6ccc3c4c56)cc2c1.c1ccc2ncc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5cccc6ccc3c4c56)cc2c1.c1ccc2ncc(-c3cc(-c4cccc5c4oc4ccccc45)c4ccc5cccc6ccc3c4c65)cc2c1.c1cnc2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5cccc6ccc3c4c56)cc2c1 |
| InChI | InChI=1S/3C43H26N2.C43H25NO.C39H23NO.C39H23NS.C37H21NO/c1-4-16-39-30(9-1)23-31(26-44-39)38-25-37(35-21-19-27-10-7-11-28-20-22-36(38)43(35)42(27)28)29-12-8-13-32(24-29)45-40-17-5-2-14-33(40)34-15-3-6-18-41(34)45;1-4-13-39-30(8-1)24-31(26-44-39)38-25-37(35-22-18-28-9-7-10-29-19-23-36(38)43(35)42(28)29)27-16-20-32(21-17-27)45-40-14-5-2-11-33(40)34-12-3-6-15-41(34)45;1-3-12-40-33(10-1)34-11-2-4-13-41(34)45(40)32-19-14-27(15-20-32)37-26-38(30-18-23-39-31(25-30)9-6-24-44-39)36-22-17-29-8-5-7-28-16-21-35(37)43(36)42(28)29;1-3-13-39-30(7-1)23-31(25-44-39)38-24-37(34-21-19-28-8-5-9-29-20-22-35(38)42(34)41(28)29)27-17-15-26(16-18-27)32-11-6-12-36-33-10-2-4-14-40(33)45-43(32)36;2*1-2-13-36-29(9-1)32-11-6-10-28(39(32)41-36)24-14-16-25(17-15-24)33-23-34(35-12-3-4-22-40-35)31-21-19-27-8-5-7-26-18-20-30(33)38(31)37(26)27;1-3-13-33-24(7-1)19-25(21-38-33)31-20-32(30-12-6-11-29-26-10-2-4-14-34(26)39-37(29)30)28-18-16-23-9-5-8-22-15-17-27(31)36(28)35(22)23/h3*1-26H;1-25H;2*1-23H;1-21H |
| InChIKey | FFICEFFLQAMBMZ-UHFFFAOYSA-N |
| XLogP | 79.32 |
| TPSA | 144.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 301 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3838.65 |
| LogP ≤ 5 | 79.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |