3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)

C325H510B11ClF10N13O5S3Si- — CID 162234268

IUPAC3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)
SMILESC#CC[BH2-]c1cc(F)ccc1C.C=CC[BH2-]c1cc(F)ccc1C.CCCCC[NH+]1c2ccccc2SC1C=C1C=C(C=CC=C2Sc3ccccc3N2CC)CC(C)(C)C1.CCCCN1C(=CC=C(C)C=Cc2cc[n+](C)c3ccc(Cl)cc23)Sc2c1ccc1ccccc21.CCCC[BH2-]c1ccc(OC)cc1.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCN1C(=CC=CC=CC=Cc2ccc3ccccc3[n+]2CC)C=CC2C=CC=CC21.CCOC(=O)C[BH2-]c1cc(F)ccc1C.COc1ccc(C[BH2-]c2cc(F)ccc2C)cc1.C[BH2-]c1ccc(F)cc1.C[BH2-]c1ccccc1.Cc1ccc(C[BH2-]c2cc(F)ccc2C)cc1.Cc1ccc(F)cc1[BH2-]CCO.Cc1ccc(F)cc1[BH2-]C[Si](C)(C)C.Cc1ccc(F)cc1[BH2-]Cc1cccc(F)c1
InChIInChI=1S/C33H40N2S2.C31H30ClN2S.C29H31N2.7C16H36N.C15H17BFO.C15H17BF.C14H14BF2.C11H15BFO2.C11H19BFSi.C11H18BO.C10H13BF.C10H11BF.C9H13BFO.C7H9BF.C7H10B/c1-5-7-12-20-35-28-16-9-11-18-30(28)37-32(35)22-26-21-25(23-33(3,4)24-26)14-13-19-31-34(6-2)27-15-8-10-17-29(27)36-31;1-4-5-19-34-29-15-13-23-8-6-7-9-26(23)31(29)35-30(34)17-11-22(2)10-12-24-18-20-33(3)28-16-14-25(32)21-27(24)28;1-3-30-26(22-20-24-14-10-12-18-28(24)30)16-8-6-5-7-9-17-27-23-21-25-15-11-13-19-29(25)31(27)4-2;7*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-11-3-6-13(17)9-15(11)16-10-12-4-7-14(18-2)8-5-12;1-11-3-6-13(7-4-11)10-16-15-9-14(17)8-5-12(15)2;1-10-5-6-13(17)8-14(10)15-9-11-3-2-4-12(16)7-11;1-3-15-11(14)7-12-10-6-9(13)5-4-8(10)2;1-9-5-6-10(13)7-11(9)12-8-14(2,3)4;1-3-4-9-12-10-5-7-11(13-2)8-6-10;2*1-3-6-11-10-7-9(12)5-4-8(10)2;1-7-2-3-8(11)6-9(7)10-4-5-12;1-8-6-2-4-7(9)5-3-6;1-8-7-5-3-2-4-6-7/h8-11,13-19,21-22,32H,5-7,12,20,23-24H2,1-4H3;6-18,20-21H,4-5,19H2,1-3H3;5-24,28H,3-4H2,1-2H3;7*5-16H2,1-4H3;3-9H,10,16H2,1-2H3;3-9H,10,16H2,1-2H3;2-8H,9,15H2,1H3;4-6H,3,7,12H2,1-2H3;5-7H,8,12H2,1-4H3;5-8H,3-4,9,12H2,1-2H3;3-5,7H,1,6,11H2,2H3;1,4-5,7H,6,11H2,2H3;2-3,6,12H,4-5,10H2,1H3;2-5H,8H2,1H3;2-6H,8H2,1H3/q;9*+1;11*-1/p+1
InChIKeyZVVUXOBUNZSRQF-UHFFFAOYSA-O
MW5148.39 g/mol
LogP74.13
Rot. Bonds136

About 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)

3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium) (PubChem CID 162234268) has the molecular formula C325H510B11ClF10N13O5S3Si- and a molecular weight of 5148.39 g/mol. Its IUPAC name is 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium).

Molecular Properties

Compound Name3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)
PubChem CID162234268
Molecular FormulaC325H510B11ClF10N13O5S3Si-
Molecular Weight5148.39 g/mol
Exact Mass5145.95
IUPAC Name3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)
SMILESC#CC[BH2-]c1cc(F)ccc1C.C=CC[BH2-]c1cc(F)ccc1C.CCCCC[NH+]1c2ccccc2SC1C=C1C=C(C=CC=C2Sc3ccccc3N2CC)CC(C)(C)C1.CCCCN1C(=CC=C(C)C=Cc2cc[n+](C)c3ccc(Cl)cc23)Sc2c1ccc1ccccc21.CCCC[BH2-]c1ccc(OC)cc1.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCN1C(=CC=CC=CC=Cc2ccc3ccccc3[n+]2CC)C=CC2C=CC=CC21.CCOC(=O)C[BH2-]c1cc(F)ccc1C.COc1ccc(C[BH2-]c2cc(F)ccc2C)cc1.C[BH2-]c1ccc(F)cc1.C[BH2-]c1ccccc1.Cc1ccc(C[BH2-]c2cc(F)ccc2C)cc1.Cc1ccc(F)cc1[BH2-]CCO.Cc1ccc(F)cc1[BH2-]C[Si](C)(C)C.Cc1ccc(F)cc1[BH2-]Cc1cccc(F)c1
InChIInChI=1S/C33H40N2S2.C31H30ClN2S.C29H31N2.7C16H36N.C15H17BFO.C15H17BF.C14H14BF2.C11H15BFO2.C11H19BFSi.C11H18BO.C10H13BF.C10H11BF.C9H13BFO.C7H9BF.C7H10B/c1-5-7-12-20-35-28-16-9-11-18-30(28)37-32(35)22-26-21-25(23-33(3,4)24-26)14-13-19-31-34(6-2)27-15-8-10-17-29(27)36-31;1-4-5-19-34-29-15-13-23-8-6-7-9-26(23)31(29)35-30(34)17-11-22(2)10-12-24-18-20-33(3)28-16-14-25(32)21-27(24)28;1-3-30-26(22-20-24-14-10-12-18-28(24)30)16-8-6-5-7-9-17-27-23-21-25-15-11-13-19-29(25)31(27)4-2;7*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-11-3-6-13(17)9-15(11)16-10-12-4-7-14(18-2)8-5-12;1-11-3-6-13(7-4-11)10-16-15-9-14(17)8-5-12(15)2;1-10-5-6-13(17)8-14(10)15-9-11-3-2-4-12(16)7-11;1-3-15-11(14)7-12-10-6-9(13)5-4-8(10)2;1-9-5-6-10(13)7-11(9)12-8-14(2,3)4;1-3-4-9-12-10-5-7-11(13-2)8-6-10;2*1-3-6-11-10-7-9(12)5-4-8(10)2;1-7-2-3-8(11)6-9(7)10-4-5-12;1-8-6-2-4-7(9)5-3-6;1-8-7-5-3-2-4-6-7/h8-11,13-19,21-22,32H,5-7,12,20,23-24H2,1-4H3;6-18,20-21H,4-5,19H2,1-3H3;5-24,28H,3-4H2,1-2H3;7*5-16H2,1-4H3;3-9H,10,16H2,1-2H3;3-9H,10,16H2,1-2H3;2-8H,9,15H2,1H3;4-6H,3,7,12H2,1-2H3;5-7H,8,12H2,1-4H3;5-8H,3-4,9,12H2,1-2H3;3-5,7H,1,6,11H2,2H3;1,4-5,7H,6,11H2,2H3;2-3,6,12H,4-5,10H2,1H3;2-5H,8H2,1H3;2-6H,8H2,1H3/q;9*+1;11*-1/p+1
InChIKeyZVVUXOBUNZSRQF-UHFFFAOYSA-O
XLogP74.13
TPSA86.91 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds136
Heavy Atoms369
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005148.39
LogP ≤ 574.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium) with MolForge

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Related Compounds

[4-[bis[4-(dibutylamino)phenyl]azaniumyl]phenyl]-[4-(dibutylamino)cyclohexa-2,5-dien-1-ylidene]-[4-(dibutylamino)phenyl]azanium;(2Z)-3-butyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-butyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;8-[(1E,3E,5E)-5-(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole;bis(1-ethyl-4-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline);1-ethyl-2-[3-(1-ethyl-2H-quinolin-2-yl)prop-1-enyl]quinolin-1-ium;methane;octakis(tritide)
CID 158114837
(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;N-[2-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;3-ethyl-2-[3-(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)prop-2-enylidene]benzo[g][1,3]benzothiazole;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;3-ethyl-2-[[3-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;pentakis(tritide)
CID 159466541
(2Z)-3-ethyl-2-[(2E,4E)-5-(1-ethyl-6-methoxyquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]-6-methylsulfonyl-1,3-benzothiazole;(2Z)-3-ethyl-2-[[(3E)-3-[(3-ethyl-5-methylperoxysulfanyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-5-methylsulfonyl-1,3-benzothiazole;(2Z)-3-ethyl-2-[[(3E)-3-[(1-ethyl-6-methylquinolin-1-ium-4-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-5-methylsulfonyl-1,3-benzothiazole;methane;4-methylbenzenesulfonate;bis(trifluoroborane);difluoride
CID 158589095
(2Z)-3-ethyl-2-[(Z)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]benzo[g][1,3]benzothiazole
CID 10223248
2-[(2Z)-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzothiazol-3-yl]acetic acid
CID 22950169
(2Z)-3-butyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;N-[2-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;8-[(1E,3E,5E)-5-(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole;3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole;3-(3-phenoxypropyl)-2-[3-[3-(3-phenoxypropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazole;octakis(tritide)
CID 161052140
(2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]benzo[g][1,3]benzothiazole
CID 6857294
2-[3-(1-benzylquinolin-1-ium-4-yl)prop-2-enylidene]-3-(2-phenoxyethyl)-1,3-benzothiazole;ethyl 4-[2-[3-[1-[(4-fluorophenyl)methyl]quinolin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]butanoate;ethyl 4-[2-[3-[1-(2-hydroxyethyl)quinolin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]butanoate;tribromide
CID 162002218
1-ethyl-2-[(E)-[3-[(E,3Z)-3-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]benzo[e][1,3]benzothiazol-1-ium
CID 169309062
3-[2-[[3-(carboxymethyl)-5-chloro-1,3-benzothiazol-3-ium-2-yl]methylidene]-5-chloro-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;3-ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;2-[2-[(Z)-2-[(3-ethyl-5-phenyl-2H-1,3-benzoxazol-2-yl)methyl]but-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]ethanesulfonate
CID 54085429
2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;1,1,3-trimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole;1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole
CID 160739704
2-[(2Z)-6-methoxy-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]acetic acid
CID 18730335

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)?
The IUPAC name of 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium) (CID 162234268) is 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium).
What is the SMILES notation for 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)?
The canonical SMILES for 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium) is C#CC[BH2-]c1cc(F)ccc1C.C=CC[BH2-]c1cc(F)ccc1C.CCCCC[NH+]1c2ccccc2SC1C=C1C=C(C=CC=C2Sc3ccccc3N2CC)CC(C)(C)C1.CCCCN1C(=CC=C(C)C=Cc2cc[n+](C)c3ccc(Cl)cc23)Sc2c1ccc1ccccc21.CCCC[BH2-]c1ccc(OC)cc1.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCN1C(=CC=CC=CC=Cc2ccc3ccccc3[n+]2CC)C=CC2C=CC=CC21.CCOC(=O)C[BH2-]c1cc(F)ccc1C.COc1ccc(C[BH2-]c2cc(F)ccc2C)cc1.C[BH2-]c1ccc(F)cc1.C[BH2-]c1ccccc1.Cc1ccc(C[BH2-]c2cc(F)ccc2C)cc1.Cc1ccc(F)cc1[BH2-]CCO.Cc1ccc(F)cc1[BH2-]C[Si](C)(C)C.Cc1ccc(F)cc1[BH2-]Cc1cccc(F)c1.
What is the InChIKey of 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)?
The InChIKey is ZVVUXOBUNZSRQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H40N2S2.C31H30ClN2S.C29H31N2.7C16H36N.C15H17BFO.C15H17BF.C14H14BF2.C11H15BFO2.C11H19BFSi.C11H18BO.C10H13BF.C10H11BF.C9H13BFO.C7H9BF.C7H10B/c1-5-7-12-20-35-28-16-9-11-18-30(28)37-32(35)22-26-21-25(23-33(3,4)24-26)14-13-19-31-34(6-2)27-15-8-10-17-29(27)36-31;1-4-5-19-34-29-15-13-23-8-6-7-9-26(23)31(29)35-30(34)17-11-22(2)10-12-24-18-20-33(3)28-16-14-25(32)21-27(24)28;1-3-30-26(22-20-24-14-10-12-18-28(24)30)16-8-6-5-7-9-17-27-23-21-25-15-11-13-19-29(25)31(27)4-2;7*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-11-3-6-13(17)9-15(11)16-10-12-4-7-14(18-2)8-5-12;1-11-3-6-13(7-4-11)10-16-15-9-14(17)8-5-12(15)2;1-10-5-6-13(17)8-14(10)15-9-11-3-2-4-12(16)7-11;1-3-15-11(14)7-12-10-6-9(13)5-4-8(10)2;1-9-5-6-10(13)7-11(9)12-8-14(2,3)4;1-3-4-9-12-10-5-7-11(13-2)8-6-10;2*1-3-6-11-10-7-9(12)5-4-8(10)2;1-7-2-3-8(11)6-9(7)10-4-5-12;1-8-6-2-4-7(9)5-3-6;1-8-7-5-3-2-4-6-7/h8-11,13-19,21-22,32H,5-7,12,20,23-24H2,1-4H3;6-18,20-21H,4-5,19H2,1-3H3;5-24,28H,3-4H2,1-2H3;7*5-16H2,1-4H3;3-9H,10,16H2,1-2H3;3-9H,10,16H2,1-2H3;2-8H,9,15H2,1H3;4-6H,3,7,12H2,1-2H3;5-7H,8,12H2,1-4H3;5-8H,3-4,9,12H2,1-2H3;3-5,7H,1,6,11H2,2H3;1,4-5,7H,6,11H2,2H3;2-3,6,12H,4-5,10H2,1H3;2-5H,8H2,1H3;2-6H,8H2,1H3/q;9*+1;11*-1/p+1.
What are the key properties of 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium)?
3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium) has a molecular weight of 5148.39 g/mol, XLogP of 74.13, 136 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[5-(6-chloro-1-methylquinolin-1-ium-4-yl)-3-methylpenta-2,4-dienylidene]benzo[g][1,3]benzothiazole;butyl-(4-methoxyphenyl)boranuide;2-[3-[5,5-dimethyl-3-[(3-pentyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;(2-ethoxy-2-oxoethyl)-(5-fluoro-2-methylphenyl)boranuide;1-ethyl-2-[7-(1-ethyl-4a,8a-dihydroquinolin-2-ylidene)hepta-1,3,5-trienyl]quinolin-1-ium;(5-fluoro-2-methylphenyl)-[(3-fluorophenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-(2-hydroxyethyl)boranuide;(5-fluoro-2-methylphenyl)-[(4-methoxyphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-[(4-methylphenyl)methyl]boranuide;(5-fluoro-2-methylphenyl)-prop-2-enylboranuide;(5-fluoro-2-methylphenyl)-prop-2-ynylboranuide;(5-fluoro-2-methylphenyl)-(trimethylsilylmethyl)boranuide;(4-fluorophenyl)-methylboranuide;methyl(phenyl)boranuide;heptakis(tetrabutylazanium) is sourced from PubChem (CID 162234268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).