4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide

C205H140N12O42S11 — CID 159585497

IUPAC4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide
SMILESCS(=O)(=O)c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)o3)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(=O)O)cc5)cc4)nc3)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccc(C(=O)O)cc7)cc6)nc5cc4o3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)nc3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)cn3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccc(S(=O)(=O)O)cc7)cc6)[nH]c5cc4C3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc3c(c2)S(=O)(=O)c2cc(-c4ccccc4)ccc2-3)cc1.O=S(=O)=O
InChIInChI=1S/C34H20N2O6.C33H23N3O6S2.C30H20N2O4.C29H21NO6S2.C28H20N2O6S2.C27H20N2O6S2.C24H16O5S2.O3S/c37-33(38)25-13-5-21(6-14-25)19-1-9-23(10-2-19)31-35-27-17-30-28(18-29(27)41-31)36-32(42-30)24-11-3-20(4-12-24)22-7-15-26(16-8-22)34(39)40;37-43(38,39)27-13-9-22(10-14-27)20-1-5-24(6-2-20)29-17-26-18-31-32(19-30(26)34-29)36-33(35-31)25-7-3-21(4-8-25)23-11-15-28(16-12-23)44(40,41)42;33-29(34)25-13-7-21(8-14-25)19-1-3-23(4-2-19)27-17-31-28(32-18-27)24-11-5-20(6-12-24)22-9-15-26(16-10-22)30(35)36;31-37(32,33)27-14-9-22(10-15-27)20-1-3-24(4-2-20)26-13-18-29(30-19-26)25-7-5-21(6-8-25)23-11-16-28(17-12-23)38(34,35)36;31-37(32,33)25-13-9-21(10-14-25)19-1-5-23(6-2-19)27-17-30-28(18-29-27)24-7-3-20(4-8-24)22-11-15-26(16-12-22)38(34,35)36;1-36(30,31)24-14-10-20(11-15-24)18-2-6-22(7-3-18)26-28-29-27(35-26)23-8-4-19(5-9-23)21-12-16-25(17-13-21)37(32,33)34;25-30(26)23-14-18(16-4-2-1-3-5-16)8-12-21(23)22-13-9-19(15-24(22)30)17-6-10-20(11-7-17)31(27,28)29;1-4(2)3/h1-18H,(H,37,38)(H,39,40);1-16,18-19H,17H2,(H,35,36)(H,37,38,39)(H,40,41,42);1-18H,(H,33,34)(H,35,36);1-19H,(H,31,32,33)(H,34,35,36);1-18H,(H,31,32,33)(H,34,35,36);2-17H,1H3,(H,32,33,34);1-15H,(H,27,28,29);
InChIKeyMJOFIZLWYJURSA-UHFFFAOYSA-N
MW3796.15 g/mol
LogP42.65
Rot. Bonds39

About 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide

4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide (PubChem CID 159585497) has the molecular formula C205H140N12O42S11 and a molecular weight of 3796.15 g/mol. Its IUPAC name is 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide.

Molecular Properties

Compound Name4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide
PubChem CID159585497
Molecular FormulaC205H140N12O42S11
Molecular Weight3796.15 g/mol
Exact Mass3792.61
IUPAC Name4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide
SMILESCS(=O)(=O)c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)o3)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(=O)O)cc5)cc4)nc3)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccc(C(=O)O)cc7)cc6)nc5cc4o3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)nc3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)cn3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccc(S(=O)(=O)O)cc7)cc6)[nH]c5cc4C3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc3c(c2)S(=O)(=O)c2cc(-c4ccccc4)ccc2-3)cc1.O=S(=O)=O
InChIInChI=1S/C34H20N2O6.C33H23N3O6S2.C30H20N2O4.C29H21NO6S2.C28H20N2O6S2.C27H20N2O6S2.C24H16O5S2.O3S/c37-33(38)25-13-5-21(6-14-25)19-1-9-23(10-2-19)31-35-27-17-30-28(18-29(27)41-31)36-32(42-30)24-11-3-20(4-12-24)22-7-15-26(16-8-22)34(39)40;37-43(38,39)27-13-9-22(10-14-27)20-1-5-24(6-2-20)29-17-26-18-31-32(19-30(26)34-29)36-33(35-31)25-7-3-21(4-8-25)23-11-15-28(16-12-23)44(40,41)42;33-29(34)25-13-7-21(8-14-25)19-1-3-23(4-2-19)27-17-31-28(32-18-27)24-11-5-20(6-12-24)22-9-15-26(16-10-22)30(35)36;31-37(32,33)27-14-9-22(10-15-27)20-1-3-24(4-2-20)26-13-18-29(30-19-26)25-7-5-21(6-8-25)23-11-16-28(17-12-23)38(34,35)36;31-37(32,33)25-13-9-21(10-14-25)19-1-5-23(6-2-19)27-17-30-28(18-29-27)24-7-3-20(4-8-24)22-11-15-26(16-12-22)38(34,35)36;1-36(30,31)24-14-10-20(11-15-24)18-2-6-22(7-3-18)26-28-29-27(35-26)23-8-4-19(5-9-23)21-12-16-25(17-13-21)37(32,33)34;25-30(26)23-14-18(16-4-2-1-3-5-16)8-12-21(23)22-13-9-19(15-24(22)30)17-6-10-20(11-7-17)31(27,28)29;1-4(2)3/h1-18H,(H,37,38)(H,39,40);1-16,18-19H,17H2,(H,35,36)(H,37,38,39)(H,40,41,42);1-18H,(H,33,34)(H,35,36);1-19H,(H,31,32,33)(H,34,35,36);1-18H,(H,31,32,33)(H,34,35,36);2-17H,1H3,(H,32,33,34);1-15H,(H,27,28,29);
InChIKeyMJOFIZLWYJURSA-UHFFFAOYSA-N
XLogP42.65
TPSA900.12 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds39
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003796.15
LogP ≤ 542.65
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide?
The IUPAC name of 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide (CID 159585497) is 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide.
What is the SMILES notation for 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide?
The canonical SMILES for 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide is CS(=O)(=O)c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)o3)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(=O)O)cc5)cc4)nc3)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccc(C(=O)O)cc7)cc6)nc5cc4o3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)nc3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)cn3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccc(S(=O)(=O)O)cc7)cc6)[nH]c5cc4C3)cc2)cc1.O=S(=O)(O)c1ccc(-c2ccc3c(c2)S(=O)(=O)c2cc(-c4ccccc4)ccc2-3)cc1.O=S(=O)=O.
What is the InChIKey of 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide?
The InChIKey is MJOFIZLWYJURSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O6.C33H23N3O6S2.C30H20N2O4.C29H21NO6S2.C28H20N2O6S2.C27H20N2O6S2.C24H16O5S2.O3S/c37-33(38)25-13-5-21(6-14-25)19-1-9-23(10-2-19)31-35-27-17-30-28(18-29(27)41-31)36-32(42-30)24-11-3-20(4-12-24)22-7-15-26(16-8-22)34(39)40;37-43(38,39)27-13-9-22(10-14-27)20-1-5-24(6-2-20)29-17-26-18-31-32(19-30(26)34-29)36-33(35-31)25-7-3-21(4-8-25)23-11-15-28(16-12-23)44(40,41)42;33-29(34)25-13-7-21(8-14-25)19-1-3-23(4-2-19)27-17-31-28(32-18-27)24-11-5-20(6-12-24)22-9-15-26(16-10-22)30(35)36;31-37(32,33)27-14-9-22(10-15-27)20-1-3-24(4-2-20)26-13-18-29(30-19-26)25-7-5-21(6-8-25)23-11-16-28(17-12-23)38(34,35)36;31-37(32,33)25-13-9-21(10-14-25)19-1-5-23(6-2-19)27-17-30-28(18-29-27)24-7-3-20(4-8-24)22-11-15-26(16-12-22)38(34,35)36;1-36(30,31)24-14-10-20(11-15-24)18-2-6-22(7-3-18)26-28-29-27(35-26)23-8-4-19(5-9-23)21-12-16-25(17-13-21)37(32,33)34;25-30(26)23-14-18(16-4-2-1-3-5-16)8-12-21(23)22-13-9-19(15-24(22)30)17-6-10-20(11-7-17)31(27,28)29;1-4(2)3/h1-18H,(H,37,38)(H,39,40);1-16,18-19H,17H2,(H,35,36)(H,37,38,39)(H,40,41,42);1-18H,(H,33,34)(H,35,36);1-19H,(H,31,32,33)(H,34,35,36);1-18H,(H,31,32,33)(H,34,35,36);2-17H,1H3,(H,32,33,34);1-15H,(H,27,28,29);.
What are the key properties of 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide?
4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide has a molecular weight of 3796.15 g/mol, XLogP of 42.65, 39 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(4-carboxyphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]benzoic acid;4-[4-[2-[4-(4-carboxyphenyl)phenyl]pyrimidin-5-yl]phenyl]benzoic acid;4-(5,5-dioxo-7-phenyldibenzothiophen-3-yl)benzenesulfonic acid;4-[4-[5-[4-(4-methylsulfonylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonic acid;4-[4-[2-[4-(4-sulfophenyl)phenyl]-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-yl]phenyl]benzenesulfonic acid;4-[4-[5-[4-(4-sulfophenyl)phenyl]pyrazin-2-yl]phenyl]benzenesulfonic acid;4-[4-[6-[4-(4-sulfophenyl)phenyl]-3-pyridinyl]phenyl]benzenesulfonic acid;sulfur trioxide is sourced from PubChem (CID 159585497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).