sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide

C264H285ClI4N24NaO23S12+ — CID 158791765

IUPACsodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide
SMILESCCC(=C\c1oc2ccc(-c3ccccc3)cc2[n+]1CC)/C=C1/Oc2ccc(-c3ccccc3)cc2N1CC.CCC(=C\c1sc2c3ccccc3ccc2[n+]1CC)/C=C1/Sc2c(ccc3ccccc23)N1CC.CCC(=C\c1sc2ccccc2[n+]1CC)/C=C1/Sc2ccccc2N1CC.CCCCN1C(=CC=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])Sc2ccccc21.CCCN(CCC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4cc(Cl)ccc4o3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccc(C)cc4o3)c(=O)oc2c1.CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C23CCCCC3)C2(CCCCC2)c2ccccc21.CCN1C(=S)N(CCc2ccccc2)C(=O)/C1=C\C=C1/Oc2c(ccc3ccccc23)N1CC.CC[NH+](CC)CC.Cn1/c(=C/C=C/C2=[N+](CCCS(=O)(=O)[O-])CCS2)oc(=O)/c1=C/C=C1\SCCN1CCCS(=O)(=O)[O-].[I-].[I-].[I-].[I-].[Na+]
InChIInChI=1S/C35H33N2O2.C33H41N2.C31H29N2S2.C28H27N3O2S.C24H26N2O3S3.C23H25N2S2.C22H23N3O2.C21H29N3O8S4.C21H20N2O3.C20H17ClN2O3.C6H15N.4HI.Na/c1-4-25(21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-13-9-7-10-14-26)22-35-37(6-3)31-24-29(18-20-33(31)39-35)27-15-11-8-12-16-27;1-3-34-28-18-9-7-16-26(28)32(22-11-5-12-23-32)30(34)20-15-21-31-33(24-13-6-14-25-33)27-17-8-10-19-29(27)35(31)4-2;1-4-21(19-28-32(5-2)26-17-15-22-11-7-9-13-24(22)30(26)34-28)20-29-33(6-3)27-18-16-23-12-8-10-14-25(23)31(27)35-29;1-3-29-23-15-14-21-12-8-9-13-22(21)26(23)33-25(29)17-16-24-27(32)31(28(34)30(24)4-2)19-18-20-10-6-5-7-11-20;1-2-3-16-25-19-10-4-6-12-21(19)30-23(25)14-8-15-24-26(17-9-18-32(27,28)29)20-11-5-7-13-22(20)31-24;1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;1-3-11-25(12-4-2)16-10-9-15-13-17(22(26)27-20(15)14-16)21-23-18-7-5-6-8-19(18)24-21;1-22-17(7-8-20-24(12-14-34-20)10-4-16-36(29,30)31)21(25)32-18(22)5-2-6-19-23(11-13-33-19)9-3-15-35(26,27)28;1-4-23(5-2)15-8-7-14-11-16(21(24)26-18(14)12-15)20-22-17-9-6-13(3)10-19(17)25-20;1-3-23(4-2)14-7-5-12-9-15(20(24)26-18(12)11-14)19-22-16-10-13(21)6-8-17(16)25-19;1-4-7(5-2)6-3;;;;;/h7-24H,4-6H2,1-3H3;7-10,15-21H,3-6,11-14,22-25H2,1-2H3;7-20H,4-6H2,1-3H3;5-17H,3-4,18-19H2,1-2H3;4-8,10-15H,2-3,9,16-18H2,1H3;7-16H,4-6H2,1-3H3;5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24);2,5-8H,3-4,9-16H2,1H3,(H-,26,27,28,29,30,31);6-12H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;4-6H2,1-3H3;4*1H;/q3*+1;;;+1;;;;;;;;;;+1/p-4/b;;;24-16+,25-17-;;;;17-7-,20-8-;;;;;;;;
InChIKeySFYPXJHKUGSNEZ-WFIMETARSA-J
MW5113.19 g/mol
LogP41.73
Rot. Bonds64

About sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide

sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide (PubChem CID 158791765) has the molecular formula C264H285ClI4N24NaO23S12+ and a molecular weight of 5113.19 g/mol. Its IUPAC name is sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide.

Molecular Properties

Compound Namesodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide
PubChem CID158791765
Molecular FormulaC264H285ClI4N24NaO23S12+
Molecular Weight5113.19 g/mol
Exact Mass5108.43
IUPAC Namesodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide
SMILESCCC(=C\c1oc2ccc(-c3ccccc3)cc2[n+]1CC)/C=C1/Oc2ccc(-c3ccccc3)cc2N1CC.CCC(=C\c1sc2c3ccccc3ccc2[n+]1CC)/C=C1/Sc2c(ccc3ccccc23)N1CC.CCC(=C\c1sc2ccccc2[n+]1CC)/C=C1/Sc2ccccc2N1CC.CCCCN1C(=CC=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])Sc2ccccc21.CCCN(CCC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4cc(Cl)ccc4o3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccc(C)cc4o3)c(=O)oc2c1.CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C23CCCCC3)C2(CCCCC2)c2ccccc21.CCN1C(=S)N(CCc2ccccc2)C(=O)/C1=C\C=C1/Oc2c(ccc3ccccc23)N1CC.CC[NH+](CC)CC.Cn1/c(=C/C=C/C2=[N+](CCCS(=O)(=O)[O-])CCS2)oc(=O)/c1=C/C=C1\SCCN1CCCS(=O)(=O)[O-].[I-].[I-].[I-].[I-].[Na+]
InChIInChI=1S/C35H33N2O2.C33H41N2.C31H29N2S2.C28H27N3O2S.C24H26N2O3S3.C23H25N2S2.C22H23N3O2.C21H29N3O8S4.C21H20N2O3.C20H17ClN2O3.C6H15N.4HI.Na/c1-4-25(21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-13-9-7-10-14-26)22-35-37(6-3)31-24-29(18-20-33(31)39-35)27-15-11-8-12-16-27;1-3-34-28-18-9-7-16-26(28)32(22-11-5-12-23-32)30(34)20-15-21-31-33(24-13-6-14-25-33)27-17-8-10-19-29(27)35(31)4-2;1-4-21(19-28-32(5-2)26-17-15-22-11-7-9-13-24(22)30(26)34-28)20-29-33(6-3)27-18-16-23-12-8-10-14-25(23)31(27)35-29;1-3-29-23-15-14-21-12-8-9-13-22(21)26(23)33-25(29)17-16-24-27(32)31(28(34)30(24)4-2)19-18-20-10-6-5-7-11-20;1-2-3-16-25-19-10-4-6-12-21(19)30-23(25)14-8-15-24-26(17-9-18-32(27,28)29)20-11-5-7-13-22(20)31-24;1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;1-3-11-25(12-4-2)16-10-9-15-13-17(22(26)27-20(15)14-16)21-23-18-7-5-6-8-19(18)24-21;1-22-17(7-8-20-24(12-14-34-20)10-4-16-36(29,30)31)21(25)32-18(22)5-2-6-19-23(11-13-33-19)9-3-15-35(26,27)28;1-4-23(5-2)15-8-7-14-11-16(21(24)26-18(14)12-15)20-22-17-9-6-13(3)10-19(17)25-20;1-3-23(4-2)14-7-5-12-9-15(20(24)26-18(12)11-14)19-22-16-10-13(21)6-8-17(16)25-19;1-4-7(5-2)6-3;;;;;/h7-24H,4-6H2,1-3H3;7-10,15-21H,3-6,11-14,22-25H2,1-2H3;7-20H,4-6H2,1-3H3;5-17H,3-4,18-19H2,1-2H3;4-8,10-15H,2-3,9,16-18H2,1H3;7-16H,4-6H2,1-3H3;5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24);2,5-8H,3-4,9-16H2,1H3,(H-,26,27,28,29,30,31);6-12H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;4-6H2,1-3H3;4*1H;/q3*+1;;;+1;;;;;;;;;;+1/p-4/b;;;24-16+,25-17-;;;;17-7-,20-8-;;;;;;;;
InChIKeySFYPXJHKUGSNEZ-WFIMETARSA-J
XLogP41.73
TPSA491.64 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds64
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005113.19
LogP ≤ 541.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Analyze sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide with MolForge

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What is the IUPAC name of sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide?
The IUPAC name of sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide (CID 158791765) is sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide.
What is the SMILES notation for sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide?
The canonical SMILES for sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide is CCC(=C\c1oc2ccc(-c3ccccc3)cc2[n+]1CC)/C=C1/Oc2ccc(-c3ccccc3)cc2N1CC.CCC(=C\c1sc2c3ccccc3ccc2[n+]1CC)/C=C1/Sc2c(ccc3ccccc23)N1CC.CCC(=C\c1sc2ccccc2[n+]1CC)/C=C1/Sc2ccccc2N1CC.CCCCN1C(=CC=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])Sc2ccccc21.CCCN(CCC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4cc(Cl)ccc4o3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccc(C)cc4o3)c(=O)oc2c1.CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C23CCCCC3)C2(CCCCC2)c2ccccc21.CCN1C(=S)N(CCc2ccccc2)C(=O)/C1=C\C=C1/Oc2c(ccc3ccccc23)N1CC.CC[NH+](CC)CC.Cn1/c(=C/C=C/C2=[N+](CCCS(=O)(=O)[O-])CCS2)oc(=O)/c1=C/C=C1\SCCN1CCCS(=O)(=O)[O-].[I-].[I-].[I-].[I-].[Na+].
What is the InChIKey of sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide?
The InChIKey is SFYPXJHKUGSNEZ-WFIMETARSA-J. The full InChI is InChI=1S/C35H33N2O2.C33H41N2.C31H29N2S2.C28H27N3O2S.C24H26N2O3S3.C23H25N2S2.C22H23N3O2.C21H29N3O8S4.C21H20N2O3.C20H17ClN2O3.C6H15N.4HI.Na/c1-4-25(21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-13-9-7-10-14-26)22-35-37(6-3)31-24-29(18-20-33(31)39-35)27-15-11-8-12-16-27;1-3-34-28-18-9-7-16-26(28)32(22-11-5-12-23-32)30(34)20-15-21-31-33(24-13-6-14-25-33)27-17-8-10-19-29(27)35(31)4-2;1-4-21(19-28-32(5-2)26-17-15-22-11-7-9-13-24(22)30(26)34-28)20-29-33(6-3)27-18-16-23-12-8-10-14-25(23)31(27)35-29;1-3-29-23-15-14-21-12-8-9-13-22(21)26(23)33-25(29)17-16-24-27(32)31(28(34)30(24)4-2)19-18-20-10-6-5-7-11-20;1-2-3-16-25-19-10-4-6-12-21(19)30-23(25)14-8-15-24-26(17-9-18-32(27,28)29)20-11-5-7-13-22(20)31-24;1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;1-3-11-25(12-4-2)16-10-9-15-13-17(22(26)27-20(15)14-16)21-23-18-7-5-6-8-19(18)24-21;1-22-17(7-8-20-24(12-14-34-20)10-4-16-36(29,30)31)21(25)32-18(22)5-2-6-19-23(11-13-33-19)9-3-15-35(26,27)28;1-4-23(5-2)15-8-7-14-11-16(21(24)26-18(14)12-15)20-22-17-9-6-13(3)10-19(17)25-20;1-3-23(4-2)14-7-5-12-9-15(20(24)26-18(12)11-14)19-22-16-10-13(21)6-8-17(16)25-19;1-4-7(5-2)6-3;;;;;/h7-24H,4-6H2,1-3H3;7-10,15-21H,3-6,11-14,22-25H2,1-2H3;7-20H,4-6H2,1-3H3;5-17H,3-4,18-19H2,1-2H3;4-8,10-15H,2-3,9,16-18H2,1H3;7-16H,4-6H2,1-3H3;5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24);2,5-8H,3-4,9-16H2,1H3,(H-,26,27,28,29,30,31);6-12H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;4-6H2,1-3H3;4*1H;/q3*+1;;;+1;;;;;;;;;;+1/p-4/b;;;24-16+,25-17-;;;;17-7-,20-8-;;;;;;;;.
What are the key properties of sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide?
sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide has a molecular weight of 5113.19 g/mol, XLogP of 41.73, 64 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(1H-benzimidazol-2-yl)-7-(dipropylamino)chromen-2-one;3-[2-[3-(3-butyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(6-methyl-1,3-benzoxazol-2-yl)chromen-2-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[g][1,3]benzothiazole;(5E)-1-ethyl-5-[(2Z)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;1'-ethyl-2'-[(E,3Z)-3-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)prop-1-enyl]spiro[cyclohexane-1,3'-indol-1-ium];3-[(2Z)-2-[(2Z)-2-[(2Z)-3-methyl-5-oxo-2-[(E)-3-[3-(3-sulfonatopropyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]prop-2-enylidene]-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonate;triethylazanium;tetraiodide is sourced from PubChem (CID 158791765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).