12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)

C290H252N8O72 — CID 162204134

IUPAC12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)
SMILESCC1(C)OC(=O)C(=CC=CC=CC2=C([O-])OC3(CCC4(CC3)OC(=O)C(/C=C/C=C/C=C3C(=O)OC(C)(C)OC3=O)=C([O-])O4)OC2=O)C(=O)O1.CC1CCC(C)C2(C1)OC(=O)C(C=CC=CC=C1C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC5(CC(C)CCC5C)OC3=O)C(=O)O4)OC1=O)=C([O-])O2.CCC1(C)OC(=O)C(C=CC=CC=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.O=C1OC2(CCCCC2)OC(=O)C1=CC=CC=CC1=C([O-])OC2(CCC3(CC2)OC(=O)C(/C=C/C=C/C=C2C(=O)OC4(CCCCC4)OC2=O)=C([O-])O3)OC1=O.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C44H48O16.C40H40O16.C36H36O16.4C34H24N2O2.C34H32O16/c1-25-15-17-27(3)43(23-25)57-37(49)31(38(50)58-43)13-9-5-7-11-29-33(45)53-41(54-34(29)46)19-21-42(22-20-41)55-35(47)30(36(48)56-42)12-8-6-10-14-32-39(51)59-44(60-40(32)52)24-26(2)16-18-28(44)4;41-29-25(30(42)50-37(49-29)17-9-3-10-18-37)13-5-1-7-15-27-33(45)53-39(54-34(27)46)21-23-40(24-22-39)55-35(47)28(36(48)56-40)16-8-2-6-14-26-31(43)51-38(52-32(26)44)19-11-4-12-20-38;1-5-33(3)45-25(37)21(26(38)46-33)13-9-7-11-15-23-29(41)49-35(50-30(23)42)17-19-36(20-18-35)51-31(43)24(32(44)52-36)16-12-8-10-14-22-27(39)47-34(4,6-2)48-28(22)40;4*37-33-13-11-29(23-31(33)27-7-3-1-4-8-27)35-19-15-25(16-20-35)26-17-21-36(22-18-26)30-12-14-34(38)32(24-30)28-9-5-2-6-10-28;1-31(2)43-23(35)19(24(36)44-31)11-7-5-9-13-21-27(39)47-33(48-28(21)40)15-17-34(18-16-33)49-29(41)22(30(42)50-34)14-10-6-8-12-20-25(37)45-32(3,4)46-26(20)38/h5-14,25-28,49,51H,15-24H2,1-4H3;1-2,5-8,13-16,45,47H,3-4,9-12,17-24H2;7-16,37,39H,5-6,17-20H2,1-4H3;4*1-24H;5-14,39,41H,15-18H2,1-4H3/b7-5+,8-6?,13-9+,14-10?,29-11-,30-12-;5-1+,6-2?,15-7+,16-8?;11-7+,12-8?,13-9+,14-10?,23-15-,24-16-;;;;;7-5+,8-6?,13-9+,14-10?
InChIKeyDENDBKLJAQIVGF-PWNCUXHLSA-N
MW5001.19 g/mol
LogP36.04
Rot. Bonds46

About 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)

12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) (PubChem CID 162204134) has the molecular formula C290H252N8O72 and a molecular weight of 5001.19 g/mol. Its IUPAC name is 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol).

Molecular Properties

Compound Name12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)
PubChem CID162204134
Molecular FormulaC290H252N8O72
Molecular Weight5001.19 g/mol
Exact Mass4997.63
IUPAC Name12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)
SMILESCC1(C)OC(=O)C(=CC=CC=CC2=C([O-])OC3(CCC4(CC3)OC(=O)C(/C=C/C=C/C=C3C(=O)OC(C)(C)OC3=O)=C([O-])O4)OC2=O)C(=O)O1.CC1CCC(C)C2(C1)OC(=O)C(C=CC=CC=C1C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC5(CC(C)CCC5C)OC3=O)C(=O)O4)OC1=O)=C([O-])O2.CCC1(C)OC(=O)C(C=CC=CC=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.O=C1OC2(CCCCC2)OC(=O)C1=CC=CC=CC1=C([O-])OC2(CCC3(CC2)OC(=O)C(/C=C/C=C/C=C2C(=O)OC4(CCCCC4)OC2=O)=C([O-])O3)OC1=O.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C44H48O16.C40H40O16.C36H36O16.4C34H24N2O2.C34H32O16/c1-25-15-17-27(3)43(23-25)57-37(49)31(38(50)58-43)13-9-5-7-11-29-33(45)53-41(54-34(29)46)19-21-42(22-20-41)55-35(47)30(36(48)56-42)12-8-6-10-14-32-39(51)59-44(60-40(32)52)24-26(2)16-18-28(44)4;41-29-25(30(42)50-37(49-29)17-9-3-10-18-37)13-5-1-7-15-27-33(45)53-39(54-34(27)46)21-23-40(24-22-39)55-35(47)28(36(48)56-40)16-8-2-6-14-26-31(43)51-38(52-32(26)44)19-11-4-12-20-38;1-5-33(3)45-25(37)21(26(38)46-33)13-9-7-11-15-23-29(41)49-35(50-30(23)42)17-19-36(20-18-35)51-31(43)24(32(44)52-36)16-12-8-10-14-22-27(39)47-34(4,6-2)48-28(22)40;4*37-33-13-11-29(23-31(33)27-7-3-1-4-8-27)35-19-15-25(16-20-35)26-17-21-36(22-18-26)30-12-14-34(38)32(24-30)28-9-5-2-6-10-28;1-31(2)43-23(35)19(24(36)44-31)11-7-5-9-13-21-27(39)47-33(48-28(21)40)15-17-34(18-16-33)49-29(41)22(30(42)50-34)14-10-6-8-12-20-25(37)45-32(3,4)46-26(20)38/h5-14,25-28,49,51H,15-24H2,1-4H3;1-2,5-8,13-16,45,47H,3-4,9-12,17-24H2;7-16,37,39H,5-6,17-20H2,1-4H3;4*1-24H;5-14,39,41H,15-18H2,1-4H3/b7-5+,8-6?,13-9+,14-10?,29-11-,30-12-;5-1+,6-2?,15-7+,16-8?;11-7+,12-8?,13-9+,14-10?,23-15-,24-16-;;;;;7-5+,8-6?,13-9+,14-10?
InChIKeyDENDBKLJAQIVGF-PWNCUXHLSA-N
XLogP36.04
TPSA1082.40 Ų
H-Bond Donors8
H-Bond Acceptors72
Rotatable Bonds46
Heavy Atoms370
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005001.19
LogP ≤ 536.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1072

Analyze 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)?
The IUPAC name of 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) (CID 162204134) is 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol).
What is the SMILES notation for 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)?
The canonical SMILES for 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) is CC1(C)OC(=O)C(=CC=CC=CC2=C([O-])OC3(CCC4(CC3)OC(=O)C(/C=C/C=C/C=C3C(=O)OC(C)(C)OC3=O)=C([O-])O4)OC2=O)C(=O)O1.CC1CCC(C)C2(C1)OC(=O)C(C=CC=CC=C1C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC5(CC(C)CCC5C)OC3=O)C(=O)O4)OC1=O)=C([O-])O2.CCC1(C)OC(=O)C(C=CC=CC=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.O=C1OC2(CCCCC2)OC(=O)C1=CC=CC=CC1=C([O-])OC2(CCC3(CC2)OC(=O)C(/C=C/C=C/C=C2C(=O)OC4(CCCCC4)OC2=O)=C([O-])O3)OC1=O.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.
What is the InChIKey of 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)?
The InChIKey is DENDBKLJAQIVGF-PWNCUXHLSA-N. The full InChI is InChI=1S/C44H48O16.C40H40O16.C36H36O16.4C34H24N2O2.C34H32O16/c1-25-15-17-27(3)43(23-25)57-37(49)31(38(50)58-43)13-9-5-7-11-29-33(45)53-41(54-34(29)46)19-21-42(22-20-41)55-35(47)30(36(48)56-42)12-8-6-10-14-32-39(51)59-44(60-40(32)52)24-26(2)16-18-28(44)4;41-29-25(30(42)50-37(49-29)17-9-3-10-18-37)13-5-1-7-15-27-33(45)53-39(54-34(27)46)21-23-40(24-22-39)55-35(47)28(36(48)56-40)16-8-2-6-14-26-31(43)51-38(52-32(26)44)19-11-4-12-20-38;1-5-33(3)45-25(37)21(26(38)46-33)13-9-7-11-15-23-29(41)49-35(50-30(23)42)17-19-36(20-18-35)51-31(43)24(32(44)52-36)16-12-8-10-14-22-27(39)47-34(4,6-2)48-28(22)40;4*37-33-13-11-29(23-31(33)27-7-3-1-4-8-27)35-19-15-25(16-20-35)26-17-21-36(22-18-26)30-12-14-34(38)32(24-30)28-9-5-2-6-10-28;1-31(2)43-23(35)19(24(36)44-31)11-7-5-9-13-21-27(39)47-33(48-28(21)40)15-17-34(18-16-33)49-29(41)22(30(42)50-34)14-10-6-8-12-20-25(37)45-32(3,4)46-26(20)38/h5-14,25-28,49,51H,15-24H2,1-4H3;1-2,5-8,13-16,45,47H,3-4,9-12,17-24H2;7-16,37,39H,5-6,17-20H2,1-4H3;4*1-24H;5-14,39,41H,15-18H2,1-4H3/b7-5+,8-6?,13-9+,14-10?,29-11-,30-12-;5-1+,6-2?,15-7+,16-8?;11-7+,12-8?,13-9+,14-10?,23-15-,24-16-;;;;;7-5+,8-6?,13-9+,14-10?.
What are the key properties of 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)?
12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) has a molecular weight of 5001.19 g/mol, XLogP of 36.04, 46 rotatable bonds, 8 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(1E,3E)-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-3-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[(2E,4E)-5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;12-[(1E,3E)-5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-3-[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;2-ethyl-5-[5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;tetrakis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) is sourced from PubChem (CID 162204134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).