About [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene)
[3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene) (PubChem CID 157167482) has the molecular formula C215H234B12N20O30+16
and a molecular weight of 3708.09 g/mol. Its IUPAC name is [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene).
Frequently Asked Questions
What is the IUPAC name of [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene)?
The IUPAC name of [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene) (CID 157167482) is [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene).
What is the SMILES notation for [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene)?
The canonical SMILES for [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene) is C=C(C)C(=O)NCCCNC(=O)c1cc(-c2ccc[n+](Cc3cccc(B(O)O)c3)c2)c[n+](Cc2cccc(B(O)O)c2)c1.C=C(C)C(=O)NCc1cc(-c2ccc[n+](Cc3cccc(B(O)O)c3)c2)c[n+](Cc2cccc(B(O)O)c2)c1.C=C(C)C(=O)NCc1cc(-c2ccc[n+](Cc3ccccc3B(O)O)c2)c[n+](Cc2ccccc2B(O)O)c1.C=CC.C=CC.C=CC.C=CC.C=Cc1ccc(COCCCOCc2cc(C[n+]3cccc4c5ccc[n+](Cc6cccc(B(O)O)c6)c5ccc43)cc(B(O)O)c2)cc1.OB(O)c1cc(C[n+]2ccccc2)cc(C[n+]2ccc(-c3cc[n+](Cc4cc(C[n+]5ccccc5)cc(B(O)O)c4)cc3)cc2)c1.OB(O)c1cc(C[n+]2ccccc2)cc(C[n+]2cccc3c4ccc[n+](Cc5cc(C[n+]6ccccc6)cc(B(O)O)c5)c4ccc32)c1.
What is the InChIKey of [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene)?
The InChIKey is ANBSUSXPHCDLSM-UHFFFAOYSA-R. The full InChI is InChI=1S/C39H40B2N2O6.C38H36B2N4O4.C36H36B2N4O4.C32H34B2N4O6.2C29H30B2N3O5.4C3H6/c1-2-29-11-13-30(14-12-29)27-48-19-6-20-49-28-33-21-32(23-35(24-33)41(46)47)26-43-18-5-10-37-36-9-4-17-42(38(36)15-16-39(37)43)25-31-7-3-8-34(22-31)40(44)45;45-39(46)33-21-29(25-41-13-3-1-4-14-41)19-31(23-33)27-43-17-7-9-35-36-10-8-18-44(38(36)12-11-37(35)43)28-32-20-30(22-34(24-32)40(47)48)26-42-15-5-2-6-16-42;43-37(44)35-21-29(25-39-11-3-1-4-12-39)19-31(23-35)27-41-15-7-33(8-16-41)34-9-17-42(18-10-34)28-32-20-30(22-36(24-32)38(45)46)26-40-13-5-2-6-14-40;1-23(2)31(39)35-12-6-13-36-32(40)28-17-27(21-38(22-28)19-25-8-4-11-30(16-25)34(43)44)26-9-5-14-37(20-26)18-24-7-3-10-29(15-24)33(41)42;1-21(2)29(35)32-15-24-12-26(20-34(18-24)17-23-7-4-10-28(14-23)31(38)39)25-8-5-11-33(19-25)16-22-6-3-9-27(13-22)30(36)37;1-21(2)29(35)32-15-22-14-26(20-34(16-22)19-25-9-4-6-12-28(25)31(38)39)23-10-7-13-33(17-23)18-24-8-3-5-11-27(24)30(36)37;4*1-3-2/h2-5,7-18,21-24,44-47H,1,6,19-20,25-28H2;1-24,45-48H,25-28H2;1-24,43-46H,25-28H2;3-5,7-11,14-17,20-22,41-44H,1,6,12-13,18-19H2,2H3;3-14,18-20,36-39H,1,15-17H2,2H3;3-14,16-17,20,36-39H,1,15,18-19H2,2H3;4*3H,1H2,2H3/q+2;2*+4;;2*+1;;;;/p+4.
What are the key properties of [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene)?
[3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene) has a molecular weight of 3708.09 g/mol, XLogP of 6.66, 69 rotatable bonds, 28 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[7-[[3-borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene) is sourced from PubChem (CID 157167482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).