C294H155N19O10 — CID 160921700
2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile (PubChem CID 160921700) has the molecular formula C294H155N19O10 and a molecular weight of 4113.60 g/mol. Its IUPAC name is 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile.
| Compound Name | 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile |
|---|---|
| PubChem CID | 160921700 |
| Molecular Formula | C294H155N19O10 |
| Molecular Weight | 4113.60 g/mol |
| Exact Mass | 4110.22 |
| IUPAC Name | 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile |
| SMILES | [C-]#[N+]c1c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc(C#N)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1C#N.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)c1C#N |
| InChI | InChI=1S/4C64H34N4O2.C38H19N3O2/c1-66-52-24-29-55(67-53-25-20-39(34-49(53)62-43-12-4-2-10-37(43)18-27-56(62)67)41-22-30-60-47(32-41)45-14-6-8-16-58(45)69-60)51(36-65)64(52)68-54-26-21-40(35-50(54)63-44-13-5-3-11-38(44)19-28-57(63)68)42-23-31-61-48(33-42)46-15-7-9-17-59(46)70-61;1-66-64-51(36-65)54(67-52-24-20-39(34-49(52)62-43-12-4-2-10-37(43)18-26-55(62)67)41-22-30-60-47(32-41)45-14-6-8-16-58(45)69-60)28-29-57(64)68-53-25-21-40(35-50(53)63-44-13-5-3-11-38(44)19-27-56(63)68)42-23-31-61-48(33-42)46-15-7-9-17-59(46)70-61;1-66-64-56(67-52-24-20-40(34-50(52)62-44-12-4-2-10-38(44)18-26-54(62)67)42-22-28-60-48(32-42)46-14-6-8-16-58(46)69-60)30-37(36-65)31-57(64)68-53-25-21-41(35-51(53)63-45-13-5-3-11-39(45)19-27-55(63)68)43-23-29-61-49(33-43)47-15-7-9-17-59(47)70-61;1-66-53-34-43(67-54-24-20-39(32-50(54)63-44-12-4-2-10-37(44)18-26-56(63)67)41-22-28-61-48(30-41)46-14-6-8-16-59(46)69-61)35-58(52(53)36-65)68-55-25-21-40(33-51(55)64-45-13-5-3-11-38(45)19-27-57(64)68)42-23-29-62-49(31-42)47-15-7-9-17-60(47)70-62;1-40-30-9-6-10-31(29(30)21-39)41-32-16-13-22(23-14-18-36-27(19-23)25-8-3-4-11-34(25)42-36)20-28(32)37-33(41)17-15-26-24-7-2-5-12-35(24)43-38(26)37/h4*2-35H;2-20H |
| InChIKey | SSCRWGHERAFMDS-UHFFFAOYSA-N |
| XLogP | 81.64 |
| TPSA | 316.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 323 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4113.60 |
| LogP ≤ 5 | 81.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |