(2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide

C269H261Cl3I2N16O17S10Se+4 — CID 158536022

IUPAC(2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide
SMILESCC1=C(/C=C2\Sc3ccc(Cl)cc3N2C)CC(C)C/C1=C\c1sc2ccc(Cl)cc2[n+]1C.CCCCCN1/C(=C/C=C/C2=C/C(=C/c3sc4cc(OC)c(C)cc4[n+]3CC(=O)[O-])CC(C)(C)C2)Oc2ccc(-c3ccccc3)cc21.CCN1/C(=C/C=C/C2=C/C(=C/c3sc4ccc5ccccc5c4[n+]3CC)CC(C)(C)C2)Oc2ccc3ccccc3c21.CC[n+]1c(C=C2C=C3C=C(C=C4Sc5cc6c(cc5N4C)OCO6)CCC3CC2)oc2ccc3ccccc3c21.COc1cc2sc(/C=C/C3=C(C)/C(=C/C=C4\Oc5cc6ccccc6cc5N4C)CCC3)[n+](C)c2cc1C.COc1cc2sc3[n+](c2cc1Cl)CC/C3=C\C(C)=C\C=C1/Sc2cc3ccccc3cc2N1C.COc1ccc2c(c1)N(C)C(=CC1=CC(=CC=Cc3oc4ccc5ccccc5c4[n+]3CCCS(=O)(=O)[O-])CC(c3ccccc3)C1)[Se]2.Cc1ccc2c(c1)N1CCC(C3=C/C(=C4\CC[n+]5c4sc4ccc(C)cc45)CC(C)(C)C3)=C1O2.[I-].[I-]
InChIInChI=1S/C41H44N2O4S.C39H36N2O5SSe.C38H37N2OS.C34H31N2O3S.C33H33N2O2S.C30H31N2OS.C28H24ClN2OS2.C26H25Cl2N2S2.2HI/c1-6-7-11-19-42-33-23-32(31-14-9-8-10-15-31)17-18-35(33)47-38(42)16-12-13-29-21-30(26-41(3,4)25-29)22-39-43(27-40(44)45)34-20-28(2)36(46-5)24-37(34)48-39;1-40-34-26-32(45-2)17-19-36(34)48-38(40)25-28-22-27(23-31(24-28)29-11-4-3-5-12-29)10-8-15-37-41(20-9-21-47(42,43)44)39-33-14-7-6-13-30(33)16-18-35(39)46-37;1-5-39-34(41-32-20-18-28-13-7-9-15-30(28)36(32)39)17-11-12-26-22-27(25-38(3,4)24-26)23-35-40(6-2)37-31-16-10-8-14-29(31)19-21-33(37)42-35;1-3-36-32(39-28-13-12-24-6-4-5-7-26(24)34(28)36)16-21-8-10-23-11-9-22(15-25(23)14-21)17-33-35(2)27-18-29-30(38-20-37-29)19-31(27)40-33;1-21-17-28-31(20-29(21)36-5)38-33(35(28)4)16-14-24-12-8-11-23(22(24)2)13-15-32-34(3)27-18-25-9-6-7-10-26(25)19-30(27)37-32;1-18-5-7-26-24(13-18)31-11-9-22(28(31)33-26)20-15-21(17-30(3,4)16-20)23-10-12-32-25-14-19(2)6-8-27(25)34-29(23)32;1-17(8-9-27-30(2)22-13-18-6-4-5-7-19(18)14-25(22)33-27)12-20-10-11-31-23-15-21(29)24(32-3)16-26(23)34-28(20)31;1-15-9-17(11-25-29(3)21-13-19(27)5-7-23(21)31-25)16(2)18(10-15)12-26-30(4)22-14-20(28)6-8-24(22)32-26;;/h8-10,12-18,20-24H,6-7,11,19,25-27H2,1-5H3;3-8,10-19,22,25-26,31H,9,20-21,23-24H2,1-2H3;7-23H,5-6,24-25H2,1-4H3;4-7,12-19,23H,3,8-11,20H2,1-2H3;6-7,9-10,13-20H,8,11-12H2,1-5H3;5-8,13-15H,9-12,16-17H2,1-4H3;4-9,12-16H,10-11H2,1-3H3;5-8,11-15H,9-10H2,1-4H3;2*1H/q;;6*+1;;/p-2
InChIKeySEGDBFGOSWSKIY-UHFFFAOYSA-L
MW4749.94 g/mol
LogP58.53
Rot. Bonds38

About (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide

(2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide (PubChem CID 158536022) has the molecular formula C269H261Cl3I2N16O17S10Se+4 and a molecular weight of 4749.94 g/mol. Its IUPAC name is (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide.

Molecular Properties

Compound Name(2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide
PubChem CID158536022
Molecular FormulaC269H261Cl3I2N16O17S10Se+4
Molecular Weight4749.94 g/mol
Exact Mass4745.36
IUPAC Name(2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide
SMILESCC1=C(/C=C2\Sc3ccc(Cl)cc3N2C)CC(C)C/C1=C\c1sc2ccc(Cl)cc2[n+]1C.CCCCCN1/C(=C/C=C/C2=C/C(=C/c3sc4cc(OC)c(C)cc4[n+]3CC(=O)[O-])CC(C)(C)C2)Oc2ccc(-c3ccccc3)cc21.CCN1/C(=C/C=C/C2=C/C(=C/c3sc4ccc5ccccc5c4[n+]3CC)CC(C)(C)C2)Oc2ccc3ccccc3c21.CC[n+]1c(C=C2C=C3C=C(C=C4Sc5cc6c(cc5N4C)OCO6)CCC3CC2)oc2ccc3ccccc3c21.COc1cc2sc(/C=C/C3=C(C)/C(=C/C=C4\Oc5cc6ccccc6cc5N4C)CCC3)[n+](C)c2cc1C.COc1cc2sc3[n+](c2cc1Cl)CC/C3=C\C(C)=C\C=C1/Sc2cc3ccccc3cc2N1C.COc1ccc2c(c1)N(C)C(=CC1=CC(=CC=Cc3oc4ccc5ccccc5c4[n+]3CCCS(=O)(=O)[O-])CC(c3ccccc3)C1)[Se]2.Cc1ccc2c(c1)N1CCC(C3=C/C(=C4\CC[n+]5c4sc4ccc(C)cc45)CC(C)(C)C3)=C1O2.[I-].[I-]
InChIInChI=1S/C41H44N2O4S.C39H36N2O5SSe.C38H37N2OS.C34H31N2O3S.C33H33N2O2S.C30H31N2OS.C28H24ClN2OS2.C26H25Cl2N2S2.2HI/c1-6-7-11-19-42-33-23-32(31-14-9-8-10-15-31)17-18-35(33)47-38(42)16-12-13-29-21-30(26-41(3,4)25-29)22-39-43(27-40(44)45)34-20-28(2)36(46-5)24-37(34)48-39;1-40-34-26-32(45-2)17-19-36(34)48-38(40)25-28-22-27(23-31(24-28)29-11-4-3-5-12-29)10-8-15-37-41(20-9-21-47(42,43)44)39-33-14-7-6-13-30(33)16-18-35(39)46-37;1-5-39-34(41-32-20-18-28-13-7-9-15-30(28)36(32)39)17-11-12-26-22-27(25-38(3,4)24-26)23-35-40(6-2)37-31-16-10-8-14-29(31)19-21-33(37)42-35;1-3-36-32(39-28-13-12-24-6-4-5-7-26(24)34(28)36)16-21-8-10-23-11-9-22(15-25(23)14-21)17-33-35(2)27-18-29-30(38-20-37-29)19-31(27)40-33;1-21-17-28-31(20-29(21)36-5)38-33(35(28)4)16-14-24-12-8-11-23(22(24)2)13-15-32-34(3)27-18-25-9-6-7-10-26(25)19-30(27)37-32;1-18-5-7-26-24(13-18)31-11-9-22(28(31)33-26)20-15-21(17-30(3,4)16-20)23-10-12-32-25-14-19(2)6-8-27(25)34-29(23)32;1-17(8-9-27-30(2)22-13-18-6-4-5-7-19(18)14-25(22)33-27)12-20-10-11-31-23-15-21(29)24(32-3)16-26(23)34-28(20)31;1-15-9-17(11-25-29(3)21-13-19(27)5-7-23(21)31-25)16(2)18(10-15)12-26-30(4)22-14-20(28)6-8-24(22)32-26;;/h8-10,12-18,20-24H,6-7,11,19,25-27H2,1-5H3;3-8,10-19,22,25-26,31H,9,20-21,23-24H2,1-2H3;7-23H,5-6,24-25H2,1-4H3;4-7,12-19,23H,3,8-11,20H2,1-2H3;6-7,9-10,13-20H,8,11-12H2,1-5H3;5-8,13-15H,9-12,16-17H2,1-4H3;4-9,12-16H,10-11H2,1-3H3;5-8,11-15H,9-10H2,1-4H3;2*1H/q;;6*+1;;/p-2
InChIKeySEGDBFGOSWSKIY-UHFFFAOYSA-L
XLogP58.53
TPSA272.87 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004749.94
LogP ≤ 558.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide with MolForge

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What is the IUPAC name of (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide?
The IUPAC name of (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide (CID 158536022) is (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide.
What is the SMILES notation for (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide?
The canonical SMILES for (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide is CC1=C(/C=C2\Sc3ccc(Cl)cc3N2C)CC(C)C/C1=C\c1sc2ccc(Cl)cc2[n+]1C.CCCCCN1/C(=C/C=C/C2=C/C(=C/c3sc4cc(OC)c(C)cc4[n+]3CC(=O)[O-])CC(C)(C)C2)Oc2ccc(-c3ccccc3)cc21.CCN1/C(=C/C=C/C2=C/C(=C/c3sc4ccc5ccccc5c4[n+]3CC)CC(C)(C)C2)Oc2ccc3ccccc3c21.CC[n+]1c(C=C2C=C3C=C(C=C4Sc5cc6c(cc5N4C)OCO6)CCC3CC2)oc2ccc3ccccc3c21.COc1cc2sc(/C=C/C3=C(C)/C(=C/C=C4\Oc5cc6ccccc6cc5N4C)CCC3)[n+](C)c2cc1C.COc1cc2sc3[n+](c2cc1Cl)CC/C3=C\C(C)=C\C=C1/Sc2cc3ccccc3cc2N1C.COc1ccc2c(c1)N(C)C(=CC1=CC(=CC=Cc3oc4ccc5ccccc5c4[n+]3CCCS(=O)(=O)[O-])CC(c3ccccc3)C1)[Se]2.Cc1ccc2c(c1)N1CCC(C3=C/C(=C4\CC[n+]5c4sc4ccc(C)cc45)CC(C)(C)C3)=C1O2.[I-].[I-].
What is the InChIKey of (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide?
The InChIKey is SEGDBFGOSWSKIY-UHFFFAOYSA-L. The full InChI is InChI=1S/C41H44N2O4S.C39H36N2O5SSe.C38H37N2OS.C34H31N2O3S.C33H33N2O2S.C30H31N2OS.C28H24ClN2OS2.C26H25Cl2N2S2.2HI/c1-6-7-11-19-42-33-23-32(31-14-9-8-10-15-31)17-18-35(33)47-38(42)16-12-13-29-21-30(26-41(3,4)25-29)22-39-43(27-40(44)45)34-20-28(2)36(46-5)24-37(34)48-39;1-40-34-26-32(45-2)17-19-36(34)48-38(40)25-28-22-27(23-31(24-28)29-11-4-3-5-12-29)10-8-15-37-41(20-9-21-47(42,43)44)39-33-14-7-6-13-30(33)16-18-35(39)46-37;1-5-39-34(41-32-20-18-28-13-7-9-15-30(28)36(32)39)17-11-12-26-22-27(25-38(3,4)24-26)23-35-40(6-2)37-31-16-10-8-14-29(31)19-21-33(37)42-35;1-3-36-32(39-28-13-12-24-6-4-5-7-26(24)34(28)36)16-21-8-10-23-11-9-22(15-25(23)14-21)17-33-35(2)27-18-29-30(38-20-37-29)19-31(27)40-33;1-21-17-28-31(20-29(21)36-5)38-33(35(28)4)16-14-24-12-8-11-23(22(24)2)13-15-32-34(3)27-18-25-9-6-7-10-26(25)19-30(27)37-32;1-18-5-7-26-24(13-18)31-11-9-22(28(31)33-26)20-15-21(17-30(3,4)16-20)23-10-12-32-25-14-19(2)6-8-27(25)34-29(23)32;1-17(8-9-27-30(2)22-13-18-6-4-5-7-19(18)14-25(22)33-27)12-20-10-11-31-23-15-21(29)24(32-3)16-26(23)34-28(20)31;1-15-9-17(11-25-29(3)21-13-19(27)5-7-23(21)31-25)16(2)18(10-15)12-26-30(4)22-14-20(28)6-8-24(22)32-26;;/h8-10,12-18,20-24H,6-7,11,19,25-27H2,1-5H3;3-8,10-19,22,25-26,31H,9,20-21,23-24H2,1-2H3;7-23H,5-6,24-25H2,1-4H3;4-7,12-19,23H,3,8-11,20H2,1-2H3;6-7,9-10,13-20H,8,11-12H2,1-5H3;5-8,13-15H,9-12,16-17H2,1-4H3;4-9,12-16H,10-11H2,1-3H3;5-8,11-15H,9-10H2,1-4H3;2*1H/q;;6*+1;;/p-2.
What are the key properties of (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide?
(2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide has a molecular weight of 4749.94 g/mol, XLogP of 58.53, 38 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-chloro-2-[[(3E)-3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5-dimethylcyclohexen-1-yl]methylidene]-3-methyl-1,3-benzothiazole;(2Z)-2-[(E,4E)-4-(7-chloro-6-methoxy-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)-3-methylbut-2-enylidene]-3-methylbenzo[f][1,3]benzothiazole;3-[(3E)-5,5-dimethyl-3-(7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazol-9-ium-3-ylidene)cyclohexen-1-yl]-7-methyl-1,2-dihydropyrrolo[2,1-b][1,3]benzoxazole;2-[2-[(E)-[5,5-dimethyl-3-[(E,3Z)-3-(3-pentyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]methyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate;6-[[7-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole;(2Z)-1-ethyl-2-[(E)-3-[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]benzo[e][1,3]benzoxazole;(2Z)-2-[(2E)-2-[3-[(E)-2-(6-methoxy-3,5-dimethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[f][1,3]benzoxazole;3-[2-[3-[3-[(5-methoxy-3-methyl-1,3-benzoselenazol-2-ylidene)methyl]-5-phenylcyclohex-2-en-1-ylidene]prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;diiodide is sourced from PubChem (CID 158536022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).