C272H162N20O12 — CID 157227136
2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,4-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;5-isocyano-2,3-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 157227136) has the molecular formula C272H162N20O12 and a molecular weight of 3902.42 g/mol. Its IUPAC name is 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,4-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;5-isocyano-2,3-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile.
| Compound Name | 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,4-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;5-isocyano-2,3-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile |
|---|---|
| PubChem CID | 157227136 |
| Molecular Formula | C272H162N20O12 |
| Molecular Weight | 3902.42 g/mol |
| Exact Mass | 3899.27 |
| IUPAC Name | 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,4-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;5-isocyano-2,3-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile |
| SMILES | [C-]#[N+]c1cc(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccc(C(C)(C)C)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-n1c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21 |
| InChI | InChI=1S/C68H34N4O4.C56H30N4O2.2C52H38N4O2.C44H22N4O2/c1-70-52-26-31-55(71-53-27-20-37(39-18-22-45-41-10-2-6-14-58(41)73-62(45)34-39)32-49(53)64-56(71)29-24-47-43-12-4-8-16-60(43)75-67(47)64)51(36-69)66(52)72-54-28-21-38(40-19-23-46-42-11-3-7-15-59(42)74-63(46)35-40)33-50(54)65-57(72)30-25-48-44-13-5-9-17-61(44)76-68(48)65;1-58-38-28-37(32-57)54(60-46-25-21-36(34-14-6-3-7-15-34)30-44(46)53-48(60)27-23-42-40-17-9-11-19-51(40)62-56(42)53)49(31-38)59-45-24-20-35(33-12-4-2-5-13-33)29-43(45)52-47(59)26-22-41-39-16-8-10-18-50(39)61-55(41)52;1-51(2,3)30-16-20-39-37(25-30)46-41(22-18-35-33-12-8-10-14-44(33)57-49(35)46)55(39)43-27-32(54-7)24-29(28-53)48(43)56-40-21-17-31(52(4,5)6)26-38(40)47-42(56)23-19-36-34-13-9-11-15-45(34)58-50(36)47;1-51(2,3)30-16-20-39-36(25-30)47-41(22-18-34-32-12-8-10-14-45(32)57-49(34)47)55(39)43-27-44(38(54-7)24-29(43)28-53)56-40-21-17-31(52(4,5)6)26-37(40)48-42(56)23-19-35-33-13-9-11-15-46(33)58-50(35)48;1-46-32-20-23-35(47-33-14-6-2-12-29(33)40-36(47)21-18-27-25-10-4-8-16-38(25)49-43(27)40)31(24-45)42(32)48-34-15-7-3-13-30(34)41-37(48)22-19-28-26-11-5-9-17-39(26)50-44(28)41/h2-35H;2-31H;2*8-27H,1-6H3;2-23H |
| InChIKey | ATRBXQFZRVMQEW-UHFFFAOYSA-N |
| XLogP | 76.17 |
| TPSA | 347.73 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 304 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3902.42 |
| LogP ≤ 5 | 76.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |