C214H174N18O14S4 — CID 160545705
2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-bis(furan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-diphenylquinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-dithiophen-2-ylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-2,9-di(quinoxalin-6-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 160545705) has the molecular formula C214H174N18O14S4 and a molecular weight of 3350.13 g/mol. Its IUPAC name is 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-bis(furan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-diphenylquinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-dithiophen-2-ylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-2,9-di(quinoxalin-6-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.
| Compound Name | 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-bis(furan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-diphenylquinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-dithiophen-2-ylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-2,9-di(quinoxalin-6-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione |
|---|---|
| PubChem CID | 160545705 |
| Molecular Formula | C214H174N18O14S4 |
| Molecular Weight | 3350.13 g/mol |
| Exact Mass | 3347.23 |
| IUPAC Name | 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-bis(furan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-diphenylquinolino[2,3-b]acridine-7,14-dione;5,12-dibutyl-2,9-dithiophen-2-ylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-2,9-di(quinoxalin-6-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione |
| SMILES | CCCCn1c2ccc(-c3ccccc3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccccc2)ccc1n3CCCC.CCCCn1c2ccc(-c3ccco3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccco2)ccc1n3CCCC.CCCCn1c2ccc(-c3cccs3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccs2)ccc1n3CCCC.CCCCn1c2ccc(-c3nc4ccccc4s3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nc4ccccc4s2)ccc1n3CCCC.Cn1c2ccc(-c3ccc4nccnc4c3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc4nccnc4c2)ccc1n3C.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C |
| InChI | InChI=1S/C42H34N4O2S2.C40H36N2O2.C38H24N6O2.C36H32N2O4.C36H32N2O2S2.C22H16N2O2/c1-3-5-19-45-33-17-15-25(41-43-31-11-7-9-13-37(31)49-41)21-27(33)39(47)29-24-36-30(23-35(29)45)40(48)28-22-26(16-18-34(28)46(36)20-6-4-2)42-44-32-12-8-10-14-38(32)50-42;1-3-5-21-41-35-19-17-29(27-13-9-7-10-14-27)23-31(35)39(43)33-26-38-34(25-37(33)41)40(44)32-24-30(28-15-11-8-12-16-28)18-20-36(32)42(38)22-6-4-2;1-43-33-9-5-21(23-3-7-29-31(17-23)41-13-11-39-29)15-25(33)37(45)27-20-36-28(19-35(27)43)38(46)26-16-22(6-10-34(26)44(36)2)24-4-8-30-32(18-24)42-14-12-40-30;2*1-3-5-15-37-29-13-11-23(33-9-7-17-41-33)19-25(29)35(39)27-22-32-28(21-31(27)37)36(40)26-20-24(34-10-8-18-42-34)12-14-30(26)38(32)16-6-4-2;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2/h7-18,21-24H,3-6,19-20H2,1-2H3;7-20,23-26H,3-6,21-22H2,1-2H3;3-20H,1-2H3;2*7-14,17-22H,3-6,15-16H2,1-2H3;3-12H,1-2H3 |
| InChIKey | QXKBNALCVHIJBJ-UHFFFAOYSA-N |
| XLogP | 49.37 |
| TPSA | 367.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 250 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3350.13 |
| LogP ≤ 5 | 49.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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