C300H176N26O10 — CID 159173295
2,3-bis([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;2,3-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile;5-isocyano-2,3-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile (PubChem CID 159173295) has the molecular formula C300H176N26O10 and a molecular weight of 4304.88 g/mol. Its IUPAC name is 2,3-bis([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;2,3-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile;5-isocyano-2,3-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile.
| Compound Name | 2,3-bis([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;2,3-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile;5-isocyano-2,3-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile |
|---|---|
| PubChem CID | 159173295 |
| Molecular Formula | C300H176N26O10 |
| Molecular Weight | 4304.88 g/mol |
| Exact Mass | 4301.41 |
| IUPAC Name | 2,3-bis([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;2,3-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile;5-isocyano-2,3-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile |
| SMILES | [C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3c4oc5ccccc5c4ccc32)c1-n1c2ccc(C(C)(C)C)cc2c2c3oc4ccccc4c3ccc21 |
| InChI | InChI=1S/C68H36N6O2.2C68H40N6O2.C52H38N4O2.C44H22N4O2/c1-70-40-34-39(38-69)66(74-58-31-27-42(72-55-22-10-4-16-45(55)46-17-5-11-23-56(46)72)37-52(58)65-60(74)33-29-50-48-19-7-13-25-63(48)76-68(50)65)61(35-40)73-57-30-26-41(71-53-20-8-2-14-43(53)44-15-3-9-21-54(44)71)36-51(57)64-59(73)32-28-49-47-18-6-12-24-62(47)75-67(49)64;1-70-44-38-43(42-69)66(74-58-35-31-50(72(47-22-10-4-11-23-47)48-24-12-5-13-25-48)41-56(58)65-60(74)37-33-54-52-27-15-17-29-63(52)76-68(54)65)61(39-44)73-57-34-30-49(71(45-18-6-2-7-19-45)46-20-8-3-9-21-46)40-55(57)64-59(73)36-32-53-51-26-14-16-28-62(51)75-67(53)64;1-70-57-41-50(73-58-34-30-48(71(44-18-6-2-7-19-44)45-20-8-3-9-21-45)39-55(58)64-60(73)36-32-53-51-26-14-16-28-62(51)75-67(53)64)38-43(42-69)66(57)74-59-35-31-49(72(46-22-10-4-11-23-46)47-24-12-5-13-25-47)40-56(59)65-61(74)37-33-54-52-27-15-17-29-63(52)76-68(54)65;1-51(2,3)30-17-22-39-36(26-30)45-41(24-19-34-32-12-8-10-14-43(32)57-49(34)45)55(39)47-29(28-53)16-21-38(54-7)48(47)56-40-23-18-31(52(4,5)6)27-37(40)46-42(56)25-20-35-33-13-9-11-15-44(33)58-50(35)46;1-46-26-22-25(24-45)42(48-34-15-7-3-13-32(34)41-36(48)21-19-30-28-11-5-9-17-39(28)50-44(30)41)37(23-26)47-33-14-6-2-12-31(33)40-35(47)20-18-29-27-10-4-8-16-38(27)49-43(29)40/h2-37H;2*2-41H;8-27H,1-6H3;2-23H |
| InChIKey | KLYQDLXWWZSVOC-UHFFFAOYSA-N |
| XLogP | 83.18 |
| TPSA | 344.27 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 336 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4304.88 |
| LogP ≤ 5 | 83.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |