dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate

C167H172F12N8O34 — CID 158290399

IUPACdibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate
SMILESCCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(CC)(CC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CCCCN(CCCC)c1ccc(N(c2ccc(N(CCCC)CCCC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCC)CCCC)C=C3)c3ccc(N(CCCC)CCCC)cc3)cc2)cc1.O=C1OC2(CCC3(CC2)OC(=O)C(=C/C=C/C=C/C2=C([O-])OC(C(F)(F)F)(C(F)(F)F)OC2=O)C(=O)O3)OC(=O)C1=C/C=C/C=C/C1=C([O-])OC(C(F)(F)F)(C(F)(F)F)OC1=O.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C62H92N6.C37H38O16.C34H20F12O16.C34H24N2O2/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;1-5-34(4)46-26(38)22(27(39)47-34)14-10-8-12-16-24-30(42)50-36(51-31(24)43)18-20-37(21-19-36)52-32(44)25(33(45)53-37)17-13-9-11-15-23-28(40)48-35(6-2,7-3)49-29(23)41;35-31(36,37)29(32(38,39)40)59-23(51)17(24(52)60-29)9-5-1-3-7-15-19(47)55-27(56-20(15)48)11-13-28(14-12-27)57-21(49)16(22(50)58-28)8-4-2-6-10-18-25(53)61-30(33(41,42)43,34(44,45)46)62-26(18)54;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/h25-44H,9-24,45-52H2,1-8H3;8-17,38,40H,5-7,18-21H2,1-4H3;1-10,51,53H,11-14H2;1-24H/q+2;;;/p-2/b;12-8+,13-9+,14-10+,15-11+,24-16-,25-17-;3-1+,4-2+,9-5+,10-6+,15-7-,16-8-;
InChIKeyGLGXFVRIFMJEEM-BFEURILISA-L
MW3063.21 g/mol
LogP28.81
Rot. Bonds52

About dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate

dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate (PubChem CID 158290399) has the molecular formula C167H172F12N8O34 and a molecular weight of 3063.21 g/mol. Its IUPAC name is dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate.

Molecular Properties

Compound Namedibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate
PubChem CID158290399
Molecular FormulaC167H172F12N8O34
Molecular Weight3063.21 g/mol
Exact Mass3061.18
IUPAC Namedibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate
SMILESCCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(CC)(CC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CCCCN(CCCC)c1ccc(N(c2ccc(N(CCCC)CCCC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCC)CCCC)C=C3)c3ccc(N(CCCC)CCCC)cc3)cc2)cc1.O=C1OC2(CCC3(CC2)OC(=O)C(=C/C=C/C=C/C2=C([O-])OC(C(F)(F)F)(C(F)(F)F)OC2=O)C(=O)O3)OC(=O)C1=C/C=C/C=C/C1=C([O-])OC(C(F)(F)F)(C(F)(F)F)OC1=O.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C62H92N6.C37H38O16.C34H20F12O16.C34H24N2O2/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;1-5-34(4)46-26(38)22(27(39)47-34)14-10-8-12-16-24-30(42)50-36(51-31(24)43)18-20-37(21-19-36)52-32(44)25(33(45)53-37)17-13-9-11-15-23-28(40)48-35(6-2,7-3)49-29(23)41;35-31(36,37)29(32(38,39)40)59-23(51)17(24(52)60-29)9-5-1-3-7-15-19(47)55-27(56-20(15)48)11-13-28(14-12-27)57-21(49)16(22(50)58-28)8-4-2-6-10-18-25(53)61-30(33(41,42)43,34(44,45)46)62-26(18)54;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/h25-44H,9-24,45-52H2,1-8H3;8-17,38,40H,5-7,18-21H2,1-4H3;1-10,51,53H,11-14H2;1-24H/q+2;;;/p-2/b;12-8+,13-9+,14-10+,15-11+,24-16-,25-17-;3-1+,4-2+,9-5+,10-6+,15-7-,16-8-;
InChIKeyGLGXFVRIFMJEEM-BFEURILISA-L
XLogP28.81
TPSA511.96 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds52
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003063.21
LogP ≤ 528.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate?
The IUPAC name of dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate (CID 158290399) is dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate.
What is the SMILES notation for dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate?
The canonical SMILES for dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate is CCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(CC)(CC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CCCCN(CCCC)c1ccc(N(c2ccc(N(CCCC)CCCC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCC)CCCC)C=C3)c3ccc(N(CCCC)CCCC)cc3)cc2)cc1.O=C1OC2(CCC3(CC2)OC(=O)C(=C/C=C/C=C/C2=C([O-])OC(C(F)(F)F)(C(F)(F)F)OC2=O)C(=O)O3)OC(=O)C1=C/C=C/C=C/C1=C([O-])OC(C(F)(F)F)(C(F)(F)F)OC1=O.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.
What is the InChIKey of dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate?
The InChIKey is GLGXFVRIFMJEEM-BFEURILISA-L. The full InChI is InChI=1S/C62H92N6.C37H38O16.C34H20F12O16.C34H24N2O2/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;1-5-34(4)46-26(38)22(27(39)47-34)14-10-8-12-16-24-30(42)50-36(51-31(24)43)18-20-37(21-19-36)52-32(44)25(33(45)53-37)17-13-9-11-15-23-28(40)48-35(6-2,7-3)49-29(23)41;35-31(36,37)29(32(38,39)40)59-23(51)17(24(52)60-29)9-5-1-3-7-15-19(47)55-27(56-20(15)48)11-13-28(14-12-27)57-21(49)16(22(50)58-28)8-4-2-6-10-18-25(53)61-30(33(41,42)43,34(44,45)46)62-26(18)54;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/h25-44H,9-24,45-52H2,1-8H3;8-17,38,40H,5-7,18-21H2,1-4H3;1-10,51,53H,11-14H2;1-24H/q+2;;;/p-2/b;12-8+,13-9+,14-10+,15-11+,24-16-,25-17-;3-1+,4-2+,9-5+,10-6+,15-7-,16-8-;.
What are the key properties of dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate?
dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate has a molecular weight of 3063.21 g/mol, XLogP of 28.81, 52 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;5-[(1E,3E)-5-[12-[(2E,4E)-5-(2,2-diethyl-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-ethyl-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol;5-[(1E,3E)-5-[12-[(2E,4E)-5-[4-oxido-6-oxo-2,2-bis(trifluoromethyl)-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]-6-oxo-2,2-bis(trifluoromethyl)-1,3-dioxin-4-olate is sourced from PubChem (CID 158290399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).