sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane

C173H133BrF18N13NaO43S — CID 157477489

IUPACsodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane
SMILESC.C.C.C.C.CNC(=O)c1cc(Oc2ccc(C(=O)O)c(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5cc(Oc6ccc(C(=O)Nc7ccc(C(c8ccc(NC)c(O)c8)(C(F)(F)F)C(F)(F)F)cc7O)c(C(=O)O)c6)ccc5C(=O)O)cc4)cc3)c2)ccc1C(=O)O.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(C(c2ccc(N)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(Oc2ccc(N)cc2)cc1.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=S(=O)([O-])CCCBr.[Na+]
InChIInChI=1S/C61H43F6N5O17.C61H34F6N4O13.C16H6O7.C15H12F6N2O2.C12H12N2O.C3H7BrO3S.5CH4.Na/c1-68-47-21-3-29(23-49(47)73)59(60(62,63)64,61(65,66)67)30-4-22-48(50(74)24-30)72-52(76)39-17-13-38(28-46(39)58(85)86)89-37-16-20-42(57(83)84)45(27-37)54(78)71-32-7-11-34(12-8-32)87-33-9-5-31(6-10-33)70-53(77)44-26-36(15-19-41(44)56(81)82)88-35-14-18-40(55(79)80)43(25-35)51(75)69-2;1-29-3-4-30(23-49(29)72)59(60(62,63)64,61(65,66)67)31-5-22-48(50(73)24-31)71-55(78)43-21-17-39(28-47(43)58(71)81)84-38-16-20-42-46(27-38)57(80)70(54(42)77)33-8-12-35(13-9-33)82-34-10-6-32(7-11-34)69-53(76)41-19-15-37(26-45(41)56(69)79)83-36-14-18-40-44(25-36)52(75)68(2)51(40)74;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;16-14(17,18)13(15(19,20)21,7-1-3-9(22)11(24)5-7)8-2-4-10(23)12(25)6-8;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;4-2-1-3-8(5,6)7;;;;;;/h3-28,68,73-74H,1-2H3,(H,69,75)(H,70,77)(H,71,78)(H,72,76)(H,79,80)(H,81,82)(H,83,84)(H,85,86);3-28,72-73H,1-2H3;1-6H;1-6,24-25H,22-23H2;1-8H,13-14H2;1-3H2,(H,5,6,7);5*1H4;/q;;;;;;;;;;;+1/p-1
InChIKeyBVTOYJFICFKSRC-UHFFFAOYSA-M
MW3558.94 g/mol
LogP32.58
Rot. Bonds40

About sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane

sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane (PubChem CID 157477489) has the molecular formula C173H133BrF18N13NaO43S and a molecular weight of 3558.94 g/mol. Its IUPAC name is sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane.

Molecular Properties

Compound Namesodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane
PubChem CID157477489
Molecular FormulaC173H133BrF18N13NaO43S
Molecular Weight3558.94 g/mol
Exact Mass3555.71
IUPAC Namesodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane
SMILESC.C.C.C.C.CNC(=O)c1cc(Oc2ccc(C(=O)O)c(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5cc(Oc6ccc(C(=O)Nc7ccc(C(c8ccc(NC)c(O)c8)(C(F)(F)F)C(F)(F)F)cc7O)c(C(=O)O)c6)ccc5C(=O)O)cc4)cc3)c2)ccc1C(=O)O.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(C(c2ccc(N)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(Oc2ccc(N)cc2)cc1.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=S(=O)([O-])CCCBr.[Na+]
InChIInChI=1S/C61H43F6N5O17.C61H34F6N4O13.C16H6O7.C15H12F6N2O2.C12H12N2O.C3H7BrO3S.5CH4.Na/c1-68-47-21-3-29(23-49(47)73)59(60(62,63)64,61(65,66)67)30-4-22-48(50(74)24-30)72-52(76)39-17-13-38(28-46(39)58(85)86)89-37-16-20-42(57(83)84)45(27-37)54(78)71-32-7-11-34(12-8-32)87-33-9-5-31(6-10-33)70-53(77)44-26-36(15-19-41(44)56(81)82)88-35-14-18-40(55(79)80)43(25-35)51(75)69-2;1-29-3-4-30(23-49(29)72)59(60(62,63)64,61(65,66)67)31-5-22-48(50(73)24-31)71-55(78)43-21-17-39(28-47(43)58(71)81)84-38-16-20-42-46(27-38)57(80)70(54(42)77)33-8-12-35(13-9-33)82-34-10-6-32(7-11-34)69-53(76)41-19-15-37(26-45(41)56(69)79)83-36-14-18-40-44(25-36)52(75)68(2)51(40)74;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;16-14(17,18)13(15(19,20)21,7-1-3-9(22)11(24)5-7)8-2-4-10(23)12(25)6-8;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;4-2-1-3-8(5,6)7;;;;;;/h3-28,68,73-74H,1-2H3,(H,69,75)(H,70,77)(H,71,78)(H,72,76)(H,79,80)(H,81,82)(H,83,84)(H,85,86);3-28,72-73H,1-2H3;1-6H;1-6,24-25H,22-23H2;1-8H,13-14H2;1-3H2,(H,5,6,7);5*1H4;/q;;;;;;;;;;;+1/p-1
InChIKeyBVTOYJFICFKSRC-UHFFFAOYSA-M
XLogP32.58
TPSA870.39 Ų
H-Bond Donors19
H-Bond Acceptors44
Rotatable Bonds40
Heavy Atoms250
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003558.94
LogP ≤ 532.58
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane?
The IUPAC name of sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane (CID 157477489) is sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane.
What is the SMILES notation for sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane?
The canonical SMILES for sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane is C.C.C.C.C.CNC(=O)c1cc(Oc2ccc(C(=O)O)c(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5cc(Oc6ccc(C(=O)Nc7ccc(C(c8ccc(NC)c(O)c8)(C(F)(F)F)C(F)(F)F)cc7O)c(C(=O)O)c6)ccc5C(=O)O)cc4)cc3)c2)ccc1C(=O)O.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(C(c2ccc(N)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(Oc2ccc(N)cc2)cc1.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=S(=O)([O-])CCCBr.[Na+].
What is the InChIKey of sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane?
The InChIKey is BVTOYJFICFKSRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C61H43F6N5O17.C61H34F6N4O13.C16H6O7.C15H12F6N2O2.C12H12N2O.C3H7BrO3S.5CH4.Na/c1-68-47-21-3-29(23-49(47)73)59(60(62,63)64,61(65,66)67)30-4-22-48(50(74)24-30)72-52(76)39-17-13-38(28-46(39)58(85)86)89-37-16-20-42(57(83)84)45(27-37)54(78)71-32-7-11-34(12-8-32)87-33-9-5-31(6-10-33)70-53(77)44-26-36(15-19-41(44)56(81)82)88-35-14-18-40(55(79)80)43(25-35)51(75)69-2;1-29-3-4-30(23-49(29)72)59(60(62,63)64,61(65,66)67)31-5-22-48(50(73)24-31)71-55(78)43-21-17-39(28-47(43)58(71)81)84-38-16-20-42-46(27-38)57(80)70(54(42)77)33-8-12-35(13-9-33)82-34-10-6-32(7-11-34)69-53(76)41-19-15-37(26-45(41)56(69)79)83-36-14-18-40-44(25-36)52(75)68(2)51(40)74;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;16-14(17,18)13(15(19,20)21,7-1-3-9(22)11(24)5-7)8-2-4-10(23)12(25)6-8;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;4-2-1-3-8(5,6)7;;;;;;/h3-28,68,73-74H,1-2H3,(H,69,75)(H,70,77)(H,71,78)(H,72,76)(H,79,80)(H,81,82)(H,83,84)(H,85,86);3-28,72-73H,1-2H3;1-6H;1-6,24-25H,22-23H2;1-8H,13-14H2;1-3H2,(H,5,6,7);5*1H4;/q;;;;;;;;;;;+1/p-1.
What are the key properties of sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane?
sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane has a molecular weight of 3558.94 g/mol, XLogP of 32.58, 40 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-5-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-(4-aminophenoxy)aniline;3-bromopropane-1-sulfonate;5-[4-carboxy-3-[[4-[4-[[2-carboxy-5-[4-carboxy-3-(methylcarbamoyl)phenoxy]benzoyl]amino]phenoxy]phenyl]carbamoyl]phenoxy]-2-[[4-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;methane is sourced from PubChem (CID 157477489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).