C413H257N9O2S16 — CID 158389496
2,4-bis(3-dibenzofuran-2-ylphenyl)pyridine;3,5-bis(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)pyridine;3,5-bis(4-dibenzothiophen-4-ylnaphthalen-1-yl)pyridine;3,5-bis(7-dibenzothiophen-4-ylnaphthalen-2-yl)pyridine;3,5-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyridine;3,5-bis[3-(4-dibenzothiophen-4-ylphenyl)phenyl]pyridine;2,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;2,6-bis(3-dibenzothiophen-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine (PubChem CID 158389496) has the molecular formula C413H257N9O2S16 and a molecular weight of 5890.73 g/mol. Its IUPAC name is 2,4-bis(3-dibenzofuran-2-ylphenyl)pyridine;3,5-bis(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)pyridine;3,5-bis(4-dibenzothiophen-4-ylnaphthalen-1-yl)pyridine;3,5-bis(7-dibenzothiophen-4-ylnaphthalen-2-yl)pyridine;3,5-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyridine;3,5-bis[3-(4-dibenzothiophen-4-ylphenyl)phenyl]pyridine;2,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;2,6-bis(3-dibenzothiophen-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine.
| Compound Name | 2,4-bis(3-dibenzofuran-2-ylphenyl)pyridine;3,5-bis(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)pyridine;3,5-bis(4-dibenzothiophen-4-ylnaphthalen-1-yl)pyridine;3,5-bis(7-dibenzothiophen-4-ylnaphthalen-2-yl)pyridine;3,5-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyridine;3,5-bis[3-(4-dibenzothiophen-4-ylphenyl)phenyl]pyridine;2,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;2,6-bis(3-dibenzothiophen-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine |
|---|---|
| PubChem CID | 158389496 |
| Molecular Formula | C413H257N9O2S16 |
| Molecular Weight | 5890.73 g/mol |
| Exact Mass | 5884.58 |
| IUPAC Name | 2,4-bis(3-dibenzofuran-2-ylphenyl)pyridine;3,5-bis(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)pyridine;3,5-bis(4-dibenzothiophen-4-ylnaphthalen-1-yl)pyridine;3,5-bis(7-dibenzothiophen-4-ylnaphthalen-2-yl)pyridine;3,5-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyridine;3,5-bis[3-(4-dibenzothiophen-4-ylphenyl)phenyl]pyridine;2,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;2,6-bis(3-dibenzothiophen-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine |
| SMILES | Cc1cc(-c2cccc3c2sc2ccccc23)c(C)cc1-c1cncc(-c2cc(C)c(-c3cccc4c3sc3ccccc34)cc2C)c1.c1cc(-c2ccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cncc(-c3cccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c3)c2)c1.c1cc(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccnc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1cc(-c2cncc(-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c2)cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1.c1cc(-c2cncc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc2c(c1)sc1c(-c3ccc(-c4cncc(-c5ccc(-c6cccc7c6sc6ccccc67)c6ccccc56)c4)c4ccccc34)cccc12.c1ccc2c(c1)sc1c(-c3ccc4ccc(-c5cncc(-c6ccc7ccc(-c8cccc9c8sc8ccccc89)cc7c6)c5)cc4c3)cccc12 |
| InChI | InChI=1S/2C53H33NS2.2C49H29NS2.C45H33NS2.C41H25NO2.3C41H25NS2/c1-3-25-50-46(19-1)48-23-9-21-44(52(48)55-50)40-17-7-13-36(29-40)34-11-5-15-38(27-34)42-31-43(33-54-32-42)39-16-6-12-35(28-39)37-14-8-18-41(30-37)45-22-10-24-49-47-20-2-4-26-51(47)56-53(45)49;1-3-19-50-46(13-1)48-17-7-15-44(52(48)55-50)36-25-21-34(22-26-36)38-9-5-11-40(29-38)42-31-43(33-54-32-42)41-12-6-10-39(30-41)35-23-27-37(28-24-35)45-16-8-18-49-47-14-2-4-20-51(47)56-53(45)49;1-3-13-36-34(11-1)32(23-25-38(36)42-17-9-19-44-40-15-5-7-21-46(40)51-48(42)44)30-27-31(29-50-28-30)33-24-26-39(37-14-4-2-12-35(33)37)43-18-10-20-45-41-16-6-8-22-47(41)52-49(43)45;1-3-13-46-42(7-1)44-11-5-9-40(48(44)51-46)34-21-17-30-15-19-32(23-36(30)25-34)38-27-39(29-50-28-38)33-20-16-31-18-22-35(26-37(31)24-33)41-10-6-12-45-43-8-2-4-14-47(43)52-49(41)45;1-26-21-40(36-15-9-13-34-32-11-5-7-17-42(32)47-44(34)36)28(3)19-38(26)30-23-31(25-46-24-30)39-20-29(4)41(22-27(39)2)37-16-10-14-35-33-12-6-8-18-43(33)48-45(35)37;1-3-13-38-33(11-1)35-23-29(15-17-40(35)43-38)26-7-5-8-27(21-26)31-19-20-42-37(25-31)32-10-6-9-28(22-32)30-16-18-41-36(24-30)34-12-2-4-14-39(34)44-41;1-3-22-38-32(14-1)34-18-7-16-30(40(34)43-38)26-10-5-12-28(24-26)36-20-9-21-37(42-36)29-13-6-11-27(25-29)31-17-8-19-35-33-15-2-4-23-39(33)44-41(31)35;1-3-19-38-34(13-1)36-17-7-15-32(40(36)43-38)28-11-5-9-26(21-28)30-23-31(25-42-24-30)27-10-6-12-29(22-27)33-16-8-18-37-35-14-2-4-20-39(35)44-41(33)37;1-3-19-38-33(13-1)35-17-7-15-31(40(35)43-38)27-10-5-9-26(23-27)30-21-22-37(42-25-30)29-12-6-11-28(24-29)32-16-8-18-36-34-14-2-4-20-39(34)44-41(32)36/h2*1-33H;2*1-29H;5-25H,1-4H3;4*1-25H |
| InChIKey | GWTUMZNJAGOJGQ-UHFFFAOYSA-N |
| XLogP | 123.95 |
| TPSA | 142.29 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 440 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5890.73 |
| LogP ≤ 5 | 123.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |