C224H127N11O9 — CID 159062536
2-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;3-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;7-phenyl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-10-[9-phenyl-6-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 159062536) has the molecular formula C224H127N11O9 and a molecular weight of 3116.55 g/mol. Its IUPAC name is 2-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;3-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;7-phenyl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-10-[9-phenyl-6-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole.
| Compound Name | 2-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;3-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;7-phenyl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-10-[9-phenyl-6-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole |
|---|---|
| PubChem CID | 159062536 |
| Molecular Formula | C224H127N11O9 |
| Molecular Weight | 3116.55 g/mol |
| Exact Mass | 3113.98 |
| IUPAC Name | 2-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;3-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;7-phenyl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-10-[9-phenyl-6-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole |
| SMILES | N#Cc1cccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)c1.N#Cc1ccccc1-n1c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)oc3ccccc35)cc2c2cc3c(cc21)oc1ccccc13.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)cc3c3cc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7cc9c(cc7n8-c7ccccc7)oc7ccccc79)cc6c5c4)cc3c3cc4c(cc32)oc2ccccc24)cc1 |
| InChI | InChI=1S/C66H39N3O2.C60H34N2O3.2C49H27N3O2/c1-4-14-44(15-5-1)67-57-28-24-40(42-26-30-59-51(34-42)53-36-55-47-20-10-12-22-63(47)70-65(55)38-61(53)68(59)45-16-6-2-7-17-45)32-49(57)50-33-41(25-29-58(50)67)43-27-31-60-52(35-43)54-37-56-48-21-11-13-23-64(48)71-66(56)39-62(54)69(60)46-18-8-3-9-19-46;1-3-11-39(12-4-1)61-51-23-19-35(27-43(51)45-31-49-41-15-7-9-17-55(41)64-59(49)33-53(45)61)37-21-25-57-47(29-37)48-30-38(22-26-58(48)63-57)36-20-24-52-44(28-36)46-32-50-42-16-8-10-18-56(42)65-60(50)34-54(46)62(52)40-13-5-2-6-14-40;50-28-31-10-4-7-15-41(31)52-43-21-19-30(23-36(43)38-25-40-34-14-6-9-17-47(34)54-49(40)27-45(38)52)29-18-20-42-35(22-29)37-24-39-33-13-5-8-16-46(33)53-48(39)26-44(37)51(42)32-11-2-1-3-12-32;50-28-29-9-8-12-33(21-29)52-43-20-18-31(23-37(43)39-25-41-35-14-5-7-16-47(35)54-49(41)27-45(39)52)30-17-19-42-36(22-30)38-24-40-34-13-4-6-15-46(34)53-48(40)26-44(38)51(42)32-10-2-1-3-11-32/h1-39H;1-34H;2*1-27H |
| InChIKey | JYQNALRCSWXFQJ-UHFFFAOYSA-N |
| XLogP | 61.46 |
| TPSA | 210.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 244 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3116.55 |
| LogP ≤ 5 | 61.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |