C300H168N22O12 — CID 161007750
3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3,5-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,6-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile (PubChem CID 161007750) has the molecular formula C300H168N22O12 and a molecular weight of 4272.79 g/mol. Its IUPAC name is 3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3,5-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,6-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile.
| Compound Name | 3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3,5-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,6-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile |
|---|---|
| PubChem CID | 161007750 |
| Molecular Formula | C300H168N22O12 |
| Molecular Weight | 4272.79 g/mol |
| Exact Mass | 4269.32 |
| IUPAC Name | 3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3,5-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,6-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile |
| SMILES | CC(C)(C)c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1cc(C#N)c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)ccc(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c1C#N.N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c1C#N.N#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c1C#N.[C-]#[N+]c1cc(C#N)c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2c2c3oc4ccccc4c3ccc21 |
| InChI | InChI=1S/C68H36N6O2.C68H34N4O4.2C56H30N4O2.C52H38N4O2/c69-37-39-33-42(73-58-29-25-40(71-54-19-7-1-13-43(54)44-14-2-8-20-55(44)71)34-51(58)65-60(73)31-27-49-47-17-5-11-23-63(47)75-67(49)65)36-62(53(39)38-70)74-59-30-26-41(72-56-21-9-3-15-45(56)46-16-4-10-22-57(46)72)35-52(59)66-61(74)32-28-50-48-18-6-12-24-64(48)76-68(50)66;1-70-52-32-41(36-69)57(71-53-26-20-37(39-18-22-46-42-10-2-6-14-59(42)73-63(46)33-39)30-50(53)65-55(71)28-24-48-44-12-4-8-16-61(44)75-67(48)65)35-58(52)72-54-27-21-38(40-19-23-47-43-11-3-7-15-60(43)74-64(47)34-40)31-51(54)66-56(72)29-25-49-45-13-5-9-17-62(45)76-68(49)66;57-31-37-27-38(59-46-23-19-35(33-11-3-1-4-12-33)28-43(46)53-48(59)25-21-41-39-15-7-9-17-51(39)61-55(41)53)30-50(45(37)32-58)60-47-24-20-36(34-13-5-2-6-14-34)29-44(47)54-49(60)26-22-42-40-16-8-10-18-52(40)62-56(42)54;57-31-43-44(32-58)48(60-46-24-20-36(34-13-5-2-6-14-34)30-42(46)54-50(60)26-22-40-38-16-8-10-18-52(38)62-56(40)54)28-27-47(43)59-45-23-19-35(33-11-3-1-4-12-33)29-41(45)53-49(59)25-21-39-37-15-7-9-17-51(37)61-55(39)53;1-51(2,3)30-15-19-40-37(24-30)47-42(21-17-35-33-11-7-9-13-45(33)57-49(35)47)55(40)32-23-29(27-53)39(28-54)44(26-32)56-41-20-16-31(52(4,5)6)25-38(41)48-43(56)22-18-36-34-12-8-10-14-46(34)58-50(36)48/h1-36H;2-35H;2*1-30H;7-26H,1-6H3 |
| InChIKey | TWSNKLGMCHZUFP-UHFFFAOYSA-N |
| XLogP | 80.38 |
| TPSA | 435.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 334 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4272.79 |
| LogP ≤ 5 | 80.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 33 |