2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione

C268H270N26O12S2Se2 — CID 158568568

IUPAC2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione
SMILESCC(C)Cn1c2ccc(-c3nccn3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nccn2C)ccc1n3CC(C)C.CC(C)n1c2ccc(-c3cccn3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccn2C)ccc1n3C(C)C.CCCCCCCCCCCCn1c2ccc(-c3nc4ccccc4n3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nc4ccccc4n2C)ccc1n3CCCCCCCCCCCC.CCCCCCCCn1c2ccc(-c3ccc[se]3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc[se]2)ccc1n3CCCCCCCC.CCCCn1c2ccc(-c3nc4ccccc4s3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nc4ccccc4s2)ccc1n3CCCC.CCc1c(C)c(-c2ccc3c(c2)c(=O)c2cc4c(cc2n3-c2ccccc2)c(=O)c2cc(-c3c(C)c(CC)c(C)n3C)ccc2n4-c2ccccc2)n(C)c1C
InChIInChI=1S/C60H72N6O2.C50H46N4O2.C44H48N2O2Se2.C42H34N4O2S2.C36H36N6O2.C36H34N4O2/c1-5-7-9-11-13-15-17-19-21-27-37-65-51-35-33-43(59-61-49-29-23-25-31-53(49)63(59)3)39-45(51)57(67)47-42-56-48(41-55(47)65)58(68)46-40-44(60-62-50-30-24-26-32-54(50)64(60)4)34-36-52(46)66(56)38-28-22-20-18-16-14-12-10-8-6-2;1-9-37-29(3)47(51(7)31(37)5)33-21-23-43-39(25-33)49(55)41-27-46-42(28-45(41)53(43)35-17-13-11-14-18-35)50(56)40-26-34(48-30(4)38(10-2)32(6)52(48)8)22-24-44(40)54(46)36-19-15-12-16-20-36;1-3-5-7-9-11-13-23-45-37-21-19-31(41-17-15-25-49-41)27-33(37)43(47)35-30-40-36(29-39(35)45)44(48)34-28-32(42-18-16-26-50-42)20-22-38(34)46(40)24-14-12-10-8-6-4-2;1-3-5-19-45-33-17-15-25(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;1-21(2)19-41-29-9-7-23(35-37-11-13-39(35)5)15-25(29)33(43)27-18-32-28(17-31(27)41)34(44)26-16-24(36-38-12-14-40(36)6)8-10-30(26)42(32)20-22(3)4;1-21(2)39-31-13-11-23(29-9-7-15-37(29)5)17-25(31)35(41)27-20-34-28(19-33(27)39)36(42)26-18-24(30-10-8-16-38(30)6)12-14-32(26)40(34)22(3)4/h23-26,29-36,39-42H,5-22,27-28,37-38H2,1-4H3;11-28H,9-10H2,1-8H3;15-22,25-30H,3-14,23-24H2,1-2H3;7-18,21-24H,3-6,19-20H2,1-2H3;7-18,21-22H,19-20H2,1-6H3;7-22H,1-6H3
InChIKeyHRUHEYQQJHKUKO-UHFFFAOYSA-N
MW4269.33 g/mol
LogP62.64
Rot. Bonds64

About 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[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;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione (PubChem CID 158568568) has the molecular formula C268H270N26O12S2Se2 and a molecular weight of 4269.33 g/mol. Its IUPAC name is 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[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;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione
PubChem CID158568568
Molecular FormulaC268H270N26O12S2Se2
Molecular Weight4269.33 g/mol
Exact Mass4267.91
IUPAC Name2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione
SMILESCC(C)Cn1c2ccc(-c3nccn3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nccn2C)ccc1n3CC(C)C.CC(C)n1c2ccc(-c3cccn3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccn2C)ccc1n3C(C)C.CCCCCCCCCCCCn1c2ccc(-c3nc4ccccc4n3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nc4ccccc4n2C)ccc1n3CCCCCCCCCCCC.CCCCCCCCn1c2ccc(-c3ccc[se]3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc[se]2)ccc1n3CCCCCCCC.CCCCn1c2ccc(-c3nc4ccccc4s3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nc4ccccc4s2)ccc1n3CCCC.CCc1c(C)c(-c2ccc3c(c2)c(=O)c2cc4c(cc2n3-c2ccccc2)c(=O)c2cc(-c3c(C)c(CC)c(C)n3C)ccc2n4-c2ccccc2)n(C)c1C
InChIInChI=1S/C60H72N6O2.C50H46N4O2.C44H48N2O2Se2.C42H34N4O2S2.C36H36N6O2.C36H34N4O2/c1-5-7-9-11-13-15-17-19-21-27-37-65-51-35-33-43(59-61-49-29-23-25-31-53(49)63(59)3)39-45(51)57(67)47-42-56-48(41-55(47)65)58(68)46-40-44(60-62-50-30-24-26-32-54(50)64(60)4)34-36-52(46)66(56)38-28-22-20-18-16-14-12-10-8-6-2;1-9-37-29(3)47(51(7)31(37)5)33-21-23-43-39(25-33)49(55)41-27-46-42(28-45(41)53(43)35-17-13-11-14-18-35)50(56)40-26-34(48-30(4)38(10-2)32(6)52(48)8)22-24-44(40)54(46)36-19-15-12-16-20-36;1-3-5-7-9-11-13-23-45-37-21-19-31(41-17-15-25-49-41)27-33(37)43(47)35-30-40-36(29-39(35)45)44(48)34-28-32(42-18-16-26-50-42)20-22-38(34)46(40)24-14-12-10-8-6-4-2;1-3-5-19-45-33-17-15-25(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;1-21(2)19-41-29-9-7-23(35-37-11-13-39(35)5)15-25(29)33(43)27-18-32-28(17-31(27)41)34(44)26-16-24(36-38-12-14-40(36)6)8-10-30(26)42(32)20-22(3)4;1-21(2)39-31-13-11-23(29-9-7-15-37(29)5)17-25(31)35(41)27-20-34-28(19-33(27)39)36(42)26-18-24(30-10-8-16-38(30)6)12-14-32(26)40(34)22(3)4/h23-26,29-36,39-42H,5-22,27-28,37-38H2,1-4H3;11-28H,9-10H2,1-8H3;15-22,25-30H,3-14,23-24H2,1-2H3;7-18,21-24H,3-6,19-20H2,1-2H3;7-18,21-22H,19-20H2,1-6H3;7-22H,1-6H3
InChIKeyHRUHEYQQJHKUKO-UHFFFAOYSA-N
XLogP62.64
TPSA380.78 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds64
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004269.33
LogP ≤ 562.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

1-[3-(2-Imidazo[1,2-a]pyrazin-3-ylethynyl)phenyl]-2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[2-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)phenyl]ethanone;1-[2-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-1,3-thiazol-5-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 163469216
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-oxo-2-(5-phenylthiophen-2-yl)ethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167607848
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-oxo-2-(5-phenylthiophen-2-yl)ethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167608506
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167693185
2-[1-[5-[2,9-Bis(1,3-benzothiazol-2-yl)-5-butyl-7,14-dioxoquinolino[2,3-b]acridin-12-yl]pentyl]pyrrol-2-yl]-9-(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione
CID 138622568
CID 157117262
CID 157117262
CID 157136927
CID 157136927
4,20-Bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
CID 157208374
CID 157251838
CID 157251838
17-Anthracen-9-yl-6,7-dipyridin-2-yl-3,5,8,10,17-pentazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione;17-naphthalen-2-yl-6,7-dithiophen-2-yl-3,5,8,10,17-pentazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione;17-phenyl-6,7-bis(1-phenylbenzimidazol-2-yl)-3,5,8,10,17-pentazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione;6,7,17-tris(1-phenylbenzimidazol-2-yl)-3,5,8,10,17-pentazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione
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1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone
CID 158486577

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;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[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;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione (CID 158568568) is 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[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;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[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;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione is CC(C)Cn1c2ccc(-c3nccn3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nccn2C)ccc1n3CC(C)C.CC(C)n1c2ccc(-c3cccn3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccn2C)ccc1n3C(C)C.CCCCCCCCCCCCn1c2ccc(-c3nc4ccccc4n3C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nc4ccccc4n2C)ccc1n3CCCCCCCCCCCC.CCCCCCCCn1c2ccc(-c3ccc[se]3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc[se]2)ccc1n3CCCCCCCC.CCCCn1c2ccc(-c3nc4ccccc4s3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2nc4ccccc4s2)ccc1n3CCCC.CCc1c(C)c(-c2ccc3c(c2)c(=O)c2cc4c(cc2n3-c2ccccc2)c(=O)c2cc(-c3c(C)c(CC)c(C)n3C)ccc2n4-c2ccccc2)n(C)c1C.
What is the InChIKey of 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is HRUHEYQQJHKUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72N6O2.C50H46N4O2.C44H48N2O2Se2.C42H34N4O2S2.C36H36N6O2.C36H34N4O2/c1-5-7-9-11-13-15-17-19-21-27-37-65-51-35-33-43(59-61-49-29-23-25-31-53(49)63(59)3)39-45(51)57(67)47-42-56-48(41-55(47)65)58(68)46-40-44(60-62-50-30-24-26-32-54(50)64(60)4)34-36-52(46)66(56)38-28-22-20-18-16-14-12-10-8-6-2;1-9-37-29(3)47(51(7)31(37)5)33-21-23-43-39(25-33)49(55)41-27-46-42(28-45(41)53(43)35-17-13-11-14-18-35)50(56)40-26-34(48-30(4)38(10-2)32(6)52(48)8)22-24-44(40)54(46)36-19-15-12-16-20-36;1-3-5-7-9-11-13-23-45-37-21-19-31(41-17-15-25-49-41)27-33(37)43(47)35-30-40-36(29-39(35)45)44(48)34-28-32(42-18-16-26-50-42)20-22-38(34)46(40)24-14-12-10-8-6-4-2;1-3-5-19-45-33-17-15-25(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;1-21(2)19-41-29-9-7-23(35-37-11-13-39(35)5)15-25(29)33(43)27-18-32-28(17-31(27)41)34(44)26-16-24(36-38-12-14-40(36)6)8-10-30(26)42(32)20-22(3)4;1-21(2)39-31-13-11-23(29-9-7-15-37(29)5)17-25(31)35(41)27-20-34-28(19-33(27)39)36(42)26-18-24(30-10-8-16-38(30)6)12-14-32(26)40(34)22(3)4/h23-26,29-36,39-42H,5-22,27-28,37-38H2,1-4H3;11-28H,9-10H2,1-8H3;15-22,25-30H,3-14,23-24H2,1-2H3;7-18,21-24H,3-6,19-20H2,1-2H3;7-18,21-22H,19-20H2,1-6H3;7-22H,1-6H3.
What are the key properties of 2,9-bis(1,3-benzothiazol-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[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;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 4269.33 g/mol, XLogP of 62.64, 64 rotatable bonds, 0 hydrogen bond donors, and 40 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;2,9-bis(4-ethyl-1,3,5-trimethylpyrrol-2-yl)-5,12-diphenylquinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylimidazol-2-yl)-5,12-bis(2-methylpropyl)quinolino[2,3-b]acridine-7,14-dione;2,9-bis(1-methylpyrrol-2-yl)-5,12-di(propan-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-didodecyl-2,9-bis(1-methylbenzimidazol-2-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dioctyl-2,9-di(selenophen-2-yl)quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 158568568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).