(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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)

C411H400Cl3N17O4S14 — CID 158276727

IUPAC(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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)
SMILESC(/C=C1\CCCC(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)=C1c1ccccc1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1.CC1CC(C=CC=C/C=C2\CC(C)Cc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C2OC(c3ccccc3)=CC(c3ccccc3)=C2C1.CCCCn1/c(=C/C=C2\CC(C)CC(/C=C/C3=[N+](CCCC)c4ccc(C)c5cccc3c45)=C2Cl)c2cccc3c(C)ccc1c32.CCCCn1/c(=C/C=C2\CCCC(/C=C/C3=[N+](CCCC)c4ccc(C)c5cccc3c45)=C2Cl)c2cccc3c(C)ccc1c32.CCN1C(=CC2=CC(=CC=CC3=CC(=Cc4sc5ccccc5[n+]4CC)CC(C)(C)C3)CC(C)(C)C2)Sc2ccccc21.CCN1C(=CC2=CC(=CC=Cc3sc4ccccc4[n+]3CC)CC(C)(C)C2)Sc2ccccc21.CCN1C(=CC=C2CCC(C=Cc3sc4ccccc4[n+]3CC)=C2N(c2ccccc2)c2ccccc2)Sc2ccccc21.CCN1C(=CC=Cc2sc3c4ccccc4ccc3[n+]2CC)Sc2c1ccc1ccccc21.CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.CCN1c2c(ccc3ccccc23)SC1CC=Cc1sc2ccc3ccccc3c2[n+]1CC.ClC1=C(/C=C/c2cc(-c3ccccc3)[o+]c3ccccc23)CCC/C1=C\C=C1\C=C(c2ccccc2)Oc2ccccc21.[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-]
InChIInChI=1S/C50H39S2.C49H43O2.C43H46ClN2.C42H44ClN2.C40H30ClO2.C39H36N3S2.C39H45N2S2.C30H33N2S2.C29H27N2S2.C29H25N2S2.C21H21N2S2.11H/c1-6-17-39(18-7-1)46-33-37(34-47(51-46)40-19-8-2-9-20-40)29-31-44-27-16-28-45(50(44)43-25-14-5-15-26-43)32-30-38-35-48(41-21-10-3-11-22-41)52-49(36-38)42-23-12-4-13-24-42;1-34-28-40(48-44(30-34)42(36-18-8-3-9-19-36)32-46(50-48)38-22-12-5-13-23-38)26-16-7-17-27-41-29-35(2)31-45-43(37-20-10-4-11-21-37)33-47(51-49(41)45)39-24-14-6-15-25-39;1-6-8-24-45-37(35-14-10-12-33-29(4)16-20-39(45)41(33)35)22-18-31-26-28(3)27-32(43(31)44)19-23-38-36-15-11-13-34-30(5)17-21-40(42(34)36)46(38)25-9-7-2;1-5-7-26-44-36(34-16-10-14-32-28(3)18-22-38(44)40(32)34)24-20-30-12-9-13-31(42(30)43)21-25-37-35-17-11-15-33-29(4)19-23-39(41(33)35)45(37)27-8-6-2;41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37;1-3-40-33-19-11-13-21-35(33)43-37(40)27-25-29-23-24-30(26-28-38-41(4-2)34-20-12-14-22-36(34)44-38)39(29)42(31-15-7-5-8-16-31)32-17-9-6-10-18-32;1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;1-5-31-24-13-7-9-15-26(24)33-28(31)17-11-12-22-18-23(21-30(3,4)20-22)19-29-32(6-2)25-14-8-10-16-27(25)34-29;1-3-30-26(32-24-18-16-20-10-5-7-12-22(20)28(24)30)14-9-15-27-31(4-2)29-23-13-8-6-11-21(23)17-19-25(29)33-27;1-3-30-24-18-16-20-10-5-7-12-22(20)28(24)32-26(30)14-9-15-27-31(4-2)25-19-17-21-11-6-8-13-23(21)29(25)33-27;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;;;;;;;;/h1-15,17-26,29-36H,16,27-28H2;3-27,32-35H,28-31H2,1-2H3;10-23,28H,6-9,24-27H2,1-5H3;10-11,14-25H,5-9,12-13,26-27H2,1-4H3;1-10,12-15,18-27H,11,16-17H2;5-22,25-28H,3-4,23-24H2,1-2H3;9-23H,7-8,24-27H2,1-6H3;7-19H,5-6,20-21H2,1-4H3;5-14,16-19,27H,3-4,15H2,1-2H3;5-19H,3-4H2,1-2H3;5-15H,3-4H2,1-2H3;;;;;;;;;;;/q11*+1;11*-1/i;;;;;;;;;;;11*1+2
InChIKeyGJRSLHCGIFEJKG-HOJYIKRVSA-N
MW6219.22 g/mol
LogP114.31
Rot. Bonds70

About (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)

(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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide) (PubChem CID 158276727) has the molecular formula C411H400Cl3N17O4S14 and a molecular weight of 6219.22 g/mol. Its IUPAC name is (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide).

Molecular Properties

Compound Name(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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)
PubChem CID158276727
Molecular FormulaC411H400Cl3N17O4S14
Molecular Weight6219.22 g/mol
Exact Mass6211.77
IUPAC Name(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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)
SMILESC(/C=C1\CCCC(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)=C1c1ccccc1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1.CC1CC(C=CC=C/C=C2\CC(C)Cc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C2OC(c3ccccc3)=CC(c3ccccc3)=C2C1.CCCCn1/c(=C/C=C2\CC(C)CC(/C=C/C3=[N+](CCCC)c4ccc(C)c5cccc3c45)=C2Cl)c2cccc3c(C)ccc1c32.CCCCn1/c(=C/C=C2\CCCC(/C=C/C3=[N+](CCCC)c4ccc(C)c5cccc3c45)=C2Cl)c2cccc3c(C)ccc1c32.CCN1C(=CC2=CC(=CC=CC3=CC(=Cc4sc5ccccc5[n+]4CC)CC(C)(C)C3)CC(C)(C)C2)Sc2ccccc21.CCN1C(=CC2=CC(=CC=Cc3sc4ccccc4[n+]3CC)CC(C)(C)C2)Sc2ccccc21.CCN1C(=CC=C2CCC(C=Cc3sc4ccccc4[n+]3CC)=C2N(c2ccccc2)c2ccccc2)Sc2ccccc21.CCN1C(=CC=Cc2sc3c4ccccc4ccc3[n+]2CC)Sc2c1ccc1ccccc21.CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.CCN1c2c(ccc3ccccc23)SC1CC=Cc1sc2ccc3ccccc3c2[n+]1CC.ClC1=C(/C=C/c2cc(-c3ccccc3)[o+]c3ccccc23)CCC/C1=C\C=C1\C=C(c2ccccc2)Oc2ccccc21.[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-]
InChIInChI=1S/C50H39S2.C49H43O2.C43H46ClN2.C42H44ClN2.C40H30ClO2.C39H36N3S2.C39H45N2S2.C30H33N2S2.C29H27N2S2.C29H25N2S2.C21H21N2S2.11H/c1-6-17-39(18-7-1)46-33-37(34-47(51-46)40-19-8-2-9-20-40)29-31-44-27-16-28-45(50(44)43-25-14-5-15-26-43)32-30-38-35-48(41-21-10-3-11-22-41)52-49(36-38)42-23-12-4-13-24-42;1-34-28-40(48-44(30-34)42(36-18-8-3-9-19-36)32-46(50-48)38-22-12-5-13-23-38)26-16-7-17-27-41-29-35(2)31-45-43(37-20-10-4-11-21-37)33-47(51-49(41)45)39-24-14-6-15-25-39;1-6-8-24-45-37(35-14-10-12-33-29(4)16-20-39(45)41(33)35)22-18-31-26-28(3)27-32(43(31)44)19-23-38-36-15-11-13-34-30(5)17-21-40(42(34)36)46(38)25-9-7-2;1-5-7-26-44-36(34-16-10-14-32-28(3)18-22-38(44)40(32)34)24-20-30-12-9-13-31(42(30)43)21-25-37-35-17-11-15-33-29(4)19-23-39(41(33)35)45(37)27-8-6-2;41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37;1-3-40-33-19-11-13-21-35(33)43-37(40)27-25-29-23-24-30(26-28-38-41(4-2)34-20-12-14-22-36(34)44-38)39(29)42(31-15-7-5-8-16-31)32-17-9-6-10-18-32;1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;1-5-31-24-13-7-9-15-26(24)33-28(31)17-11-12-22-18-23(21-30(3,4)20-22)19-29-32(6-2)25-14-8-10-16-27(25)34-29;1-3-30-26(32-24-18-16-20-10-5-7-12-22(20)28(24)30)14-9-15-27-31(4-2)29-23-13-8-6-11-21(23)17-19-25(29)33-27;1-3-30-24-18-16-20-10-5-7-12-22(20)28(24)32-26(30)14-9-15-27-31(4-2)25-19-17-21-11-6-8-13-23(21)29(25)33-27;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;;;;;;;;/h1-15,17-26,29-36H,16,27-28H2;3-27,32-35H,28-31H2,1-2H3;10-23,28H,6-9,24-27H2,1-5H3;10-11,14-25H,5-9,12-13,26-27H2,1-4H3;1-10,12-15,18-27H,11,16-17H2;5-22,25-28H,3-4,23-24H2,1-2H3;9-23H,7-8,24-27H2,1-6H3;7-19H,5-6,20-21H2,1-4H3;5-14,16-19,27H,3-4,15H2,1-2H3;5-19H,3-4H2,1-2H3;5-15H,3-4H2,1-2H3;;;;;;;;;;;/q11*+1;11*-1/i;;;;;;;;;;;11*1+2
InChIKeyGJRSLHCGIFEJKG-HOJYIKRVSA-N
XLogP114.31
TPSA102.90 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds70
Heavy Atoms449
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006219.22
LogP ≤ 5114.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide) with MolForge

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What is the IUPAC name of (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)?
The IUPAC name of (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide) (CID 158276727) is (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide).
What is the SMILES notation for (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)?
The canonical SMILES for (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide) is C(/C=C1\CCCC(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)=C1c1ccccc1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1.CC1CC(C=CC=C/C=C2\CC(C)Cc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C2OC(c3ccccc3)=CC(c3ccccc3)=C2C1.CCCCn1/c(=C/C=C2\CC(C)CC(/C=C/C3=[N+](CCCC)c4ccc(C)c5cccc3c45)=C2Cl)c2cccc3c(C)ccc1c32.CCCCn1/c(=C/C=C2\CCCC(/C=C/C3=[N+](CCCC)c4ccc(C)c5cccc3c45)=C2Cl)c2cccc3c(C)ccc1c32.CCN1C(=CC2=CC(=CC=CC3=CC(=Cc4sc5ccccc5[n+]4CC)CC(C)(C)C3)CC(C)(C)C2)Sc2ccccc21.CCN1C(=CC2=CC(=CC=Cc3sc4ccccc4[n+]3CC)CC(C)(C)C2)Sc2ccccc21.CCN1C(=CC=C2CCC(C=Cc3sc4ccccc4[n+]3CC)=C2N(c2ccccc2)c2ccccc2)Sc2ccccc21.CCN1C(=CC=Cc2sc3c4ccccc4ccc3[n+]2CC)Sc2c1ccc1ccccc21.CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.CCN1c2c(ccc3ccccc23)SC1CC=Cc1sc2ccc3ccccc3c2[n+]1CC.ClC1=C(/C=C/c2cc(-c3ccccc3)[o+]c3ccccc23)CCC/C1=C\C=C1\C=C(c2ccccc2)Oc2ccccc21.[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].[3H-].
What is the InChIKey of (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)?
The InChIKey is GJRSLHCGIFEJKG-HOJYIKRVSA-N. The full InChI is InChI=1S/C50H39S2.C49H43O2.C43H46ClN2.C42H44ClN2.C40H30ClO2.C39H36N3S2.C39H45N2S2.C30H33N2S2.C29H27N2S2.C29H25N2S2.C21H21N2S2.11H/c1-6-17-39(18-7-1)46-33-37(34-47(51-46)40-19-8-2-9-20-40)29-31-44-27-16-28-45(50(44)43-25-14-5-15-26-43)32-30-38-35-48(41-21-10-3-11-22-41)52-49(36-38)42-23-12-4-13-24-42;1-34-28-40(48-44(30-34)42(36-18-8-3-9-19-36)32-46(50-48)38-22-12-5-13-23-38)26-16-7-17-27-41-29-35(2)31-45-43(37-20-10-4-11-21-37)33-47(51-49(41)45)39-24-14-6-15-25-39;1-6-8-24-45-37(35-14-10-12-33-29(4)16-20-39(45)41(33)35)22-18-31-26-28(3)27-32(43(31)44)19-23-38-36-15-11-13-34-30(5)17-21-40(42(34)36)46(38)25-9-7-2;1-5-7-26-44-36(34-16-10-14-32-28(3)18-22-38(44)40(32)34)24-20-30-12-9-13-31(42(30)43)21-25-37-35-17-11-15-33-29(4)19-23-39(41(33)35)45(37)27-8-6-2;41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37;1-3-40-33-19-11-13-21-35(33)43-37(40)27-25-29-23-24-30(26-28-38-41(4-2)34-20-12-14-22-36(34)44-38)39(29)42(31-15-7-5-8-16-31)32-17-9-6-10-18-32;1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;1-5-31-24-13-7-9-15-26(24)33-28(31)17-11-12-22-18-23(21-30(3,4)20-22)19-29-32(6-2)25-14-8-10-16-27(25)34-29;1-3-30-26(32-24-18-16-20-10-5-7-12-22(20)28(24)30)14-9-15-27-31(4-2)29-23-13-8-6-11-21(23)17-19-25(29)33-27;1-3-30-24-18-16-20-10-5-7-12-22(20)28(24)32-26(30)14-9-15-27-31(4-2)25-19-17-21-11-6-8-13-23(21)29(25)33-27;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;;;;;;;;/h1-15,17-26,29-36H,16,27-28H2;3-27,32-35H,28-31H2,1-2H3;10-23,28H,6-9,24-27H2,1-5H3;10-11,14-25H,5-9,12-13,26-27H2,1-4H3;1-10,12-15,18-27H,11,16-17H2;5-22,25-28H,3-4,23-24H2,1-2H3;9-23H,7-8,24-27H2,1-6H3;7-19H,5-6,20-21H2,1-4H3;5-14,16-19,27H,3-4,15H2,1-2H3;5-19H,3-4H2,1-2H3;5-15H,3-4H2,1-2H3;;;;;;;;;;;/q11*+1;11*-1/i;;;;;;;;;;;11*1+2.
What are the key properties of (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide)?
(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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide) has a molecular weight of 6219.22 g/mol, XLogP of 114.31, 70 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-methylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chloro-5-methylcyclohex-2-en-1-ylidene]ethylidene]-6-methylbenzo[cd]indole;4-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;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;1-ethyl-2-[3-(1-ethyl-2H-benzo[e][1,3]benzothiazol-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium;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-[3-[(3-ethyl-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;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;6-methyl-8-[(5E)-5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;undecakis(tritide) is sourced from PubChem (CID 158276727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).