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

C214H174N18O14S4 — CID 160545705

IUPAC2,9-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
SMILESCCCCn1c2ccc(-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
InChIInChI=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
InChIKeyQXKBNALCVHIJBJ-UHFFFAOYSA-N
MW3350.13 g/mol
LogP49.37
Rot. Bonds34

About 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

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.

Molecular Properties

Compound Name2,9-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 CID160545705
Molecular FormulaC214H174N18O14S4
Molecular Weight3350.13 g/mol
Exact Mass3347.23
IUPAC Name2,9-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
SMILESCCCCn1c2ccc(-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
InChIInChI=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
InChIKeyQXKBNALCVHIJBJ-UHFFFAOYSA-N
XLogP49.37
TPSA367.62 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms250
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003350.13
LogP ≤ 549.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 160545705) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is QXKBNALCVHIJBJ-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 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?
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 has a molecular weight of 3350.13 g/mol, XLogP of 49.37, 34 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160545705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).