[4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid

C329H286B27N9O103S4 — CID 159365887

IUPAC[4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid
SMILESN#COc1ccc(-c2ccc(B(O)O)cc2)cc1.N#COc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1.Nc1ccc(-c2ccc(-c3ccc(B(O)O)cc3)cc2)cc1.Nc1ccc(-c2ccc(B(O)O)cc2)cc1.Nc1ccc(B(O)O)cc1.Nc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1.Nc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(B(O)O)cc3)cc2)cc1.Nc1cccc(B(O)O)c1.Nc1ccccc1B(O)O.O=C(O)c1ccccc1B(O)O.O=C(Oc1ccc(B(O)O)cc1)c1ccc(O)cc1.O=C(Oc1ccc(B(O)O)cc1)c1ccc(S)cc1.O=C(Oc1ccc(B(O)O)cc1)c1ccc2c(c1)C(=O)OC2=O.O=C(Oc1ccc(B(O)O)cc1)c1ccccc1.O=C(Oc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1)c1ccc(O)cc1.O=C(Oc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1)c1ccc(S)cc1.O=C1OC(=O)c2cc(-c3ccc(B(O)O)cc3)ccc21.O=C=O.O=C=O.O=C=O.O=C=O.OB(O)c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1.OB(O)c1ccc(-c2ccc(-c3ccc(S)cc3)cc2)cc1.OB(O)c1ccc(-c2ccc(O)cc2)cc1.OB(O)c1ccc(-c2ccc(S)cc2)cc1.OB(O)c1ccc(-c2ccccc2)cc1.OB(O)c1ccc(O)cc1.OB(O)c1cccc(O)c1.OB(O)c1ccccc1.OB(O)c1ccccc1.OB(O)c1ccccc1O
InChIInChI=1S/C20H16BNO6.C20H15BO7.C20H15BO6S.C18H16BNO2.C18H15BO3.C18H15BO2S.C15H9BO7.C14H10BNO5.C14H9BO5.C13H12BNO4.C13H10BNO3.C13H11BO5.C13H11BO4S.C13H11BO4.C12H12BNO2.C12H11BO3.C12H11BO2S.C12H11BO2.C7H7BO4.3C6H8BNO2.3C6H7BO3.2C6H7BO2.4CO2/c2*22-16-7-1-13(2-8-16)19(23)27-17-9-3-14(4-10-17)20(24)28-18-11-5-15(6-12-18)21(25)26;22-19(27-17-9-5-15(6-10-17)21(24)25)13-1-7-16(8-2-13)26-20(23)14-3-11-18(28)12-4-14;2*20-18-11-7-16(8-12-18)14-3-1-13(2-4-14)15-5-9-17(10-6-15)19(21)22;20-19(21)17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(22)12-8-16;17-13(22-10-4-2-9(3-5-10)16(20)21)8-1-6-11-12(7-8)15(19)23-14(11)18;16-9-20-12-5-1-10(2-6-12)14(17)21-13-7-3-11(4-8-13)15(18)19;16-13-11-6-3-9(7-12(11)14(17)20-13)8-1-4-10(5-2-8)15(18)19;15-11-5-1-9(2-6-11)13(16)19-12-7-3-10(4-8-12)14(17)18;15-9-18-13-7-3-11(4-8-13)10-1-5-12(6-2-10)14(16)17;15-11-5-1-9(2-6-11)13(16)19-12-7-3-10(4-8-12)14(17)18;15-13(9-1-7-12(19)8-2-9)18-11-5-3-10(4-6-11)14(16)17;15-13(10-4-2-1-3-5-10)18-12-8-6-11(7-9-12)14(16)17;2*14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16;14-13(15)11-5-1-9(2-6-11)10-3-7-12(16)8-4-10;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;9-7(10)5-3-1-2-4-6(5)8(11)12;8-6-3-1-5(2-4-6)7(9)10;8-6-3-1-2-5(4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;8-6-3-1-5(2-4-6)7(9)10;8-6-3-1-2-5(4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;2*8-7(9)6-4-2-1-3-5-6;4*2-1-3/h1-12,25-26H,22H2;1-12,22,25-26H;1-12,24-25,28H;1-12,21-22H,20H2;2*1-12,20-22H;1-7,20-21H;1-8,18-19H;1-7,18-19H;1-8,17-18H,15H2;1-8,16-17H;1-8,15,17-18H;1-8,16-17,19H;1-9,16-17H;1-8,15-16H,14H2;2*1-8,14-16H;1-9,14-15H;1-4,11-12H,(H,9,10);3*1-4,9-10H,8H2;3*1-4,8-10H;2*1-5,8-9H;;;;
InChIKeyLJCXDQVIIKOKIT-UHFFFAOYSA-N
MW6434.06 g/mol
LogP9.40
Rot. Bonds66

About [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid

[4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid (PubChem CID 159365887) has the molecular formula C329H286B27N9O103S4 and a molecular weight of 6434.06 g/mol. Its IUPAC name is [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid
PubChem CID159365887
Molecular FormulaC329H286B27N9O103S4
Molecular Weight6434.06 g/mol
Exact Mass6434.88
IUPAC Name[4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid
SMILESN#COc1ccc(-c2ccc(B(O)O)cc2)cc1.N#COc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1.Nc1ccc(-c2ccc(-c3ccc(B(O)O)cc3)cc2)cc1.Nc1ccc(-c2ccc(B(O)O)cc2)cc1.Nc1ccc(B(O)O)cc1.Nc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1.Nc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(B(O)O)cc3)cc2)cc1.Nc1cccc(B(O)O)c1.Nc1ccccc1B(O)O.O=C(O)c1ccccc1B(O)O.O=C(Oc1ccc(B(O)O)cc1)c1ccc(O)cc1.O=C(Oc1ccc(B(O)O)cc1)c1ccc(S)cc1.O=C(Oc1ccc(B(O)O)cc1)c1ccc2c(c1)C(=O)OC2=O.O=C(Oc1ccc(B(O)O)cc1)c1ccccc1.O=C(Oc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1)c1ccc(O)cc1.O=C(Oc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1)c1ccc(S)cc1.O=C1OC(=O)c2cc(-c3ccc(B(O)O)cc3)ccc21.O=C=O.O=C=O.O=C=O.O=C=O.OB(O)c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1.OB(O)c1ccc(-c2ccc(-c3ccc(S)cc3)cc2)cc1.OB(O)c1ccc(-c2ccc(O)cc2)cc1.OB(O)c1ccc(-c2ccc(S)cc2)cc1.OB(O)c1ccc(-c2ccccc2)cc1.OB(O)c1ccc(O)cc1.OB(O)c1cccc(O)c1.OB(O)c1ccccc1.OB(O)c1ccccc1.OB(O)c1ccccc1O
InChIInChI=1S/C20H16BNO6.C20H15BO7.C20H15BO6S.C18H16BNO2.C18H15BO3.C18H15BO2S.C15H9BO7.C14H10BNO5.C14H9BO5.C13H12BNO4.C13H10BNO3.C13H11BO5.C13H11BO4S.C13H11BO4.C12H12BNO2.C12H11BO3.C12H11BO2S.C12H11BO2.C7H7BO4.3C6H8BNO2.3C6H7BO3.2C6H7BO2.4CO2/c2*22-16-7-1-13(2-8-16)19(23)27-17-9-3-14(4-10-17)20(24)28-18-11-5-15(6-12-18)21(25)26;22-19(27-17-9-5-15(6-10-17)21(24)25)13-1-7-16(8-2-13)26-20(23)14-3-11-18(28)12-4-14;2*20-18-11-7-16(8-12-18)14-3-1-13(2-4-14)15-5-9-17(10-6-15)19(21)22;20-19(21)17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(22)12-8-16;17-13(22-10-4-2-9(3-5-10)16(20)21)8-1-6-11-12(7-8)15(19)23-14(11)18;16-9-20-12-5-1-10(2-6-12)14(17)21-13-7-3-11(4-8-13)15(18)19;16-13-11-6-3-9(7-12(11)14(17)20-13)8-1-4-10(5-2-8)15(18)19;15-11-5-1-9(2-6-11)13(16)19-12-7-3-10(4-8-12)14(17)18;15-9-18-13-7-3-11(4-8-13)10-1-5-12(6-2-10)14(16)17;15-11-5-1-9(2-6-11)13(16)19-12-7-3-10(4-8-12)14(17)18;15-13(9-1-7-12(19)8-2-9)18-11-5-3-10(4-6-11)14(16)17;15-13(10-4-2-1-3-5-10)18-12-8-6-11(7-9-12)14(16)17;2*14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16;14-13(15)11-5-1-9(2-6-11)10-3-7-12(16)8-4-10;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;9-7(10)5-3-1-2-4-6(5)8(11)12;8-6-3-1-5(2-4-6)7(9)10;8-6-3-1-2-5(4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;8-6-3-1-5(2-4-6)7(9)10;8-6-3-1-2-5(4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;2*8-7(9)6-4-2-1-3-5-6;4*2-1-3/h1-12,25-26H,22H2;1-12,22,25-26H;1-12,24-25,28H;1-12,21-22H,20H2;2*1-12,20-22H;1-7,20-21H;1-8,18-19H;1-7,18-19H;1-8,17-18H,15H2;1-8,16-17H;1-8,15,17-18H;1-8,16-17,19H;1-9,16-17H;1-8,15-16H,14H2;2*1-8,14-16H;1-9,14-15H;1-4,11-12H,(H,9,10);3*1-4,9-10H,8H2;3*1-4,8-10H;2*1-5,8-9H;;;;
InChIKeyLJCXDQVIIKOKIT-UHFFFAOYSA-N
XLogP9.40
TPSA2058.41 Ų
H-Bond Donors73
H-Bond Acceptors115
Rotatable Bonds66
Heavy Atoms472
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006434.06
LogP ≤ 59.40
H-Bond Donors ≤ 573
H-Bond Acceptors ≤ 10115

Analyze [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid?
The IUPAC name of [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid (CID 159365887) is [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid.
What is the SMILES notation for [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid?
The canonical SMILES for [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid is N#COc1ccc(-c2ccc(B(O)O)cc2)cc1.N#COc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1.Nc1ccc(-c2ccc(-c3ccc(B(O)O)cc3)cc2)cc1.Nc1ccc(-c2ccc(B(O)O)cc2)cc1.Nc1ccc(B(O)O)cc1.Nc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1.Nc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(B(O)O)cc3)cc2)cc1.Nc1cccc(B(O)O)c1.Nc1ccccc1B(O)O.O=C(O)c1ccccc1B(O)O.O=C(Oc1ccc(B(O)O)cc1)c1ccc(O)cc1.O=C(Oc1ccc(B(O)O)cc1)c1ccc(S)cc1.O=C(Oc1ccc(B(O)O)cc1)c1ccc2c(c1)C(=O)OC2=O.O=C(Oc1ccc(B(O)O)cc1)c1ccccc1.O=C(Oc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1)c1ccc(O)cc1.O=C(Oc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1)c1ccc(S)cc1.O=C1OC(=O)c2cc(-c3ccc(B(O)O)cc3)ccc21.O=C=O.O=C=O.O=C=O.O=C=O.OB(O)c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1.OB(O)c1ccc(-c2ccc(-c3ccc(S)cc3)cc2)cc1.OB(O)c1ccc(-c2ccc(O)cc2)cc1.OB(O)c1ccc(-c2ccc(S)cc2)cc1.OB(O)c1ccc(-c2ccccc2)cc1.OB(O)c1ccc(O)cc1.OB(O)c1cccc(O)c1.OB(O)c1ccccc1.OB(O)c1ccccc1.OB(O)c1ccccc1O.
What is the InChIKey of [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid?
The InChIKey is LJCXDQVIIKOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BNO6.C20H15BO7.C20H15BO6S.C18H16BNO2.C18H15BO3.C18H15BO2S.C15H9BO7.C14H10BNO5.C14H9BO5.C13H12BNO4.C13H10BNO3.C13H11BO5.C13H11BO4S.C13H11BO4.C12H12BNO2.C12H11BO3.C12H11BO2S.C12H11BO2.C7H7BO4.3C6H8BNO2.3C6H7BO3.2C6H7BO2.4CO2/c2*22-16-7-1-13(2-8-16)19(23)27-17-9-3-14(4-10-17)20(24)28-18-11-5-15(6-12-18)21(25)26;22-19(27-17-9-5-15(6-10-17)21(24)25)13-1-7-16(8-2-13)26-20(23)14-3-11-18(28)12-4-14;2*20-18-11-7-16(8-12-18)14-3-1-13(2-4-14)15-5-9-17(10-6-15)19(21)22;20-19(21)17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(22)12-8-16;17-13(22-10-4-2-9(3-5-10)16(20)21)8-1-6-11-12(7-8)15(19)23-14(11)18;16-9-20-12-5-1-10(2-6-12)14(17)21-13-7-3-11(4-8-13)15(18)19;16-13-11-6-3-9(7-12(11)14(17)20-13)8-1-4-10(5-2-8)15(18)19;15-11-5-1-9(2-6-11)13(16)19-12-7-3-10(4-8-12)14(17)18;15-9-18-13-7-3-11(4-8-13)10-1-5-12(6-2-10)14(16)17;15-11-5-1-9(2-6-11)13(16)19-12-7-3-10(4-8-12)14(17)18;15-13(9-1-7-12(19)8-2-9)18-11-5-3-10(4-6-11)14(16)17;15-13(10-4-2-1-3-5-10)18-12-8-6-11(7-9-12)14(16)17;2*14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16;14-13(15)11-5-1-9(2-6-11)10-3-7-12(16)8-4-10;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;9-7(10)5-3-1-2-4-6(5)8(11)12;8-6-3-1-5(2-4-6)7(9)10;8-6-3-1-2-5(4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;8-6-3-1-5(2-4-6)7(9)10;8-6-3-1-2-5(4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;2*8-7(9)6-4-2-1-3-5-6;4*2-1-3/h1-12,25-26H,22H2;1-12,22,25-26H;1-12,24-25,28H;1-12,21-22H,20H2;2*1-12,20-22H;1-7,20-21H;1-8,18-19H;1-7,18-19H;1-8,17-18H,15H2;1-8,16-17H;1-8,15,17-18H;1-8,16-17,19H;1-9,16-17H;1-8,15-16H,14H2;2*1-8,14-16H;1-9,14-15H;1-4,11-12H,(H,9,10);3*1-4,9-10H,8H2;3*1-4,8-10H;2*1-5,8-9H;;;;.
What are the key properties of [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid?
[4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid has a molecular weight of 6434.06 g/mol, XLogP of 9.40, 66 rotatable bonds, 73 hydrogen bond donors, and 115 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-aminobenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-aminobenzoyl)oxyphenyl]boronic acid;(2-aminophenyl)boronic acid;(3-aminophenyl)boronic acid;(4-aminophenyl)boronic acid;[4-(4-aminophenyl)phenyl]boronic acid;[4-[4-(4-aminophenyl)phenyl]phenyl]boronic acid;(4-benzoyloxyphenyl)boronic acid;2-boronobenzoic acid;tetrakis(carbon dioxide);[4-(4-cyanatobenzoyl)oxyphenyl]boronic acid;[4-(4-cyanatophenyl)phenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl]boronic acid;[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]boronic acid;[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-hydroxybenzoyl)oxyphenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(4-hydroxyphenyl)boronic acid;[4-(4-hydroxyphenyl)phenyl]boronic acid;[4-[4-(4-hydroxyphenyl)phenyl]phenyl]boronic acid;phenylboronic acid;(4-phenylphenyl)boronic acid;[4-[4-(4-sulfanylbenzoyl)oxybenzoyl]oxyphenyl]boronic acid;[4-(4-sulfanylbenzoyl)oxyphenyl]boronic acid;[4-(4-sulfanylphenyl)phenyl]boronic acid;[4-[4-(4-sulfanylphenyl)phenyl]phenyl]boronic acid is sourced from PubChem (CID 159365887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).