C198H120N10O7 — CID 158211636
12-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;11-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzofuro[3,2-b]quinoline;11-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 158211636) has the molecular formula C198H120N10O7 and a molecular weight of 2751.20 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;11-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzofuro[3,2-b]quinoline;11-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]quinoline.
| Compound Name | 12-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;11-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzofuro[3,2-b]quinoline;11-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]quinoline |
|---|---|
| PubChem CID | 158211636 |
| Molecular Formula | C198H120N10O7 |
| Molecular Weight | 2751.20 g/mol |
| Exact Mass | 2748.93 |
| IUPAC Name | 12-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;11-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzofuro[3,2-b]quinoline;11-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]quinoline |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c6ccccc6nc6c5oc5ccccc56)c4)c3cc21.c1cc(-c2c3ccccc3nc3c2oc2ccccc23)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.c1cc(-c2c3ccccc3nc3c2oc2ccccc23)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.c1cc(-c2c3ccccc3nc3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3c4ccccc4nc4c3oc3ccccc34)c2)cc1 |
| InChI | InChI=1S/C45H28N2O.C42H28N2O.2C39H22N2O2.C33H20N2O/c1-3-12-29(13-4-1)31-22-24-40-37(27-31)38-28-32(30-14-5-2-6-15-30)23-25-41(38)47(40)34-17-11-16-33(26-34)43-35-18-7-9-20-39(35)46-44-36-19-8-10-21-42(36)48-45(43)44;1-42(2)33-18-7-3-14-27(33)31-23-32-28-15-5-9-20-36(28)44(37(32)24-34(31)42)26-13-11-12-25(22-26)39-29-16-4-8-19-35(29)43-40-30-17-6-10-21-38(30)45-41(39)40;1-5-16-30-27(13-1)35(39-37(40-30)29-15-4-8-19-34(29)43-39)23-10-9-11-24(22-23)41-31-17-6-2-14-28(31)36-32(41)21-20-26-25-12-3-7-18-33(25)42-38(26)36;1-5-16-31-29(14-1)35(39-36(40-31)30-15-4-8-19-34(30)43-39)23-10-9-11-24(22-23)41-32-17-6-2-12-25(32)27-20-21-28-26-13-3-7-18-33(26)42-38(28)37(27)41;1-5-16-27-25(14-1)31(33-32(34-27)26-15-4-8-19-30(26)36-33)21-10-9-11-22(20-21)35-28-17-6-2-12-23(28)24-13-3-7-18-29(24)35/h1-28H;3-24H,1-2H3;2*1-22H;1-20H |
| InChIKey | GCDNVMOUOGEHBV-UHFFFAOYSA-N |
| XLogP | 53.93 |
| TPSA | 181.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 215 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2751.20 |
| LogP ≤ 5 | 53.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |