tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate

C154H226ClK4N74Na15O83S21 — CID 160632452

IUPACtetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate
SMILESCS(=O)(=O)NC1CCN(c2nc(NCCS(=O)(=O)[O-])nc(Nc3cc(Cl)cc(Nc4nc(NCCS(=O)(=O)[O-])nc(N5CCC(NS(C)(=O)=O)C5)n4)c3)n2)C1.Nc1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(Nc3nc(N)nc(NCCS(=O)(=O)[O-])n3)cc2)n1.O=S(=O)([O-])CCN(CCO)c1nc(Nc2ccc(Nc3nc(N(CCO)CCS(=O)(=O)[O-])nc(N(CCO)CCS(=O)(=O)[O-])n3)cc2)nc(N(CCO)CCS(=O)(=O)[O-])n1.O=S(=O)([O-])CCN(CCS(=O)(=O)[O-])c1nc(Nc2cc(Nc3nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])n3)cc(S(=O)(=O)[O-])c2)nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])n1.O=S(=O)([O-])CCNc1nc(NCCS(=O)(=O)[O-])nc(Nc2cccc(Nc3nc(NCCO)nc(NCCO)n3)c2)n1.OCC(O)CN(CC(O)CO)c1nc(Nc2cccc(Nc3nc(N(CC(O)CO)CC(O)CO)nc(N(CC(O)CO)CC(O)CO)n3)c2)nc(N(CC(O)CO)CC(O)CO)n1.[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C36H62N12O16.C28H46N12O27S9.C28H46N12O16S4.C26H39ClN14O10S4.C20H30N12O8S2.C16H22N12O6S2.4K.15Na/c49-13-23(57)5-45(6-24(58)14-50)33-39-31(40-34(43-33)46(7-25(59)15-51)8-26(60)16-52)37-21-2-1-3-22(4-21)38-32-41-35(47(9-27(61)17-53)10-28(62)18-54)44-36(42-32)48(11-29(63)19-55)12-30(64)20-56;41-68(42,43)9-1-37(2-10-69(44,45)46)25-31-23(32-26(35-25)38(3-11-70(47,48)49)4-12-71(50,51)52)29-20-17-21(19-22(18-20)76(65,66)67)30-24-33-27(39(5-13-72(53,54)55)6-14-73(56,57)58)36-28(34-24)40(7-15-74(59,60)61)8-16-75(62,63)64;41-13-5-37(9-17-57(45,46)47)25-31-23(32-26(35-25)38(6-14-42)10-18-58(48,49)50)29-21-1-2-22(4-3-21)30-24-33-27(39(7-15-43)11-19-59(51,52)53)36-28(34-24)40(8-16-44)12-20-60(54,55)56;1-52(42,43)38-17-3-7-40(14-17)25-34-21(28-5-9-54(46,47)48)32-23(36-25)30-19-11-16(27)12-20(13-19)31-24-33-22(29-6-10-55(49,50)51)35-26(37-24)41-8-4-18(15-41)39-53(2,44)45;33-8-4-21-15-27-16(22-5-9-34)30-19(29-15)25-13-2-1-3-14(12-13)26-20-31-17(23-6-10-41(35,36)37)28-18(32-20)24-7-11-42(38,39)40;17-11-23-13(19-5-7-35(29,30)31)27-15(25-11)21-9-1-2-10(4-3-9)22-16-26-12(18)24-14(28-16)20-6-8-36(32,33)34;;;;;;;;;;;;;;;;;;;/h1-4,23-30,49-64H,5-20H2,(H,37,39,40,43)(H,38,41,42,44);17-19H,1-16H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,29,31,32,35)(H,30,33,34,36);1-4,41-44H,5-20H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,29,31,32,35)(H,30,33,34,36);11-13,17-18,38-39H,3-10,14-15H2,1-2H3,(H,46,47,48)(H,49,50,51)(H2,28,30,32,34,36)(H2,29,31,33,35,37);1-3,12,33-34H,4-11H2,(H,35,36,37)(H,38,39,40)(H3,21,22,25,27,29,30)(H3,23,24,26,28,31,32);1-4H,5-8H2,(H,29,30,31)(H,32,33,34)(H4,17,19,21,23,25,27)(H4,18,20,22,24,26,28);;;;;;;;;;;;;;;;;;;/q;;;;;;19*+1/p-19
InChIKeyRICAULZFAJJQPR-UHFFFAOYSA-A
MW5652.04 g/mol
LogP-83.12
Rot. Bonds141

About tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate

tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate (PubChem CID 160632452) has the molecular formula C154H226ClK4N74Na15O83S21 and a molecular weight of 5652.04 g/mol. Its IUPAC name is tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate.

Molecular Properties

Compound Nametetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate
PubChem CID160632452
Molecular FormulaC154H226ClK4N74Na15O83S21
Molecular Weight5652.04 g/mol
Exact Mass5646.66
IUPAC Nametetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate
SMILESCS(=O)(=O)NC1CCN(c2nc(NCCS(=O)(=O)[O-])nc(Nc3cc(Cl)cc(Nc4nc(NCCS(=O)(=O)[O-])nc(N5CCC(NS(C)(=O)=O)C5)n4)c3)n2)C1.Nc1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(Nc3nc(N)nc(NCCS(=O)(=O)[O-])n3)cc2)n1.O=S(=O)([O-])CCN(CCO)c1nc(Nc2ccc(Nc3nc(N(CCO)CCS(=O)(=O)[O-])nc(N(CCO)CCS(=O)(=O)[O-])n3)cc2)nc(N(CCO)CCS(=O)(=O)[O-])n1.O=S(=O)([O-])CCN(CCS(=O)(=O)[O-])c1nc(Nc2cc(Nc3nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])n3)cc(S(=O)(=O)[O-])c2)nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])n1.O=S(=O)([O-])CCNc1nc(NCCS(=O)(=O)[O-])nc(Nc2cccc(Nc3nc(NCCO)nc(NCCO)n3)c2)n1.OCC(O)CN(CC(O)CO)c1nc(Nc2cccc(Nc3nc(N(CC(O)CO)CC(O)CO)nc(N(CC(O)CO)CC(O)CO)n3)c2)nc(N(CC(O)CO)CC(O)CO)n1.[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C36H62N12O16.C28H46N12O27S9.C28H46N12O16S4.C26H39ClN14O10S4.C20H30N12O8S2.C16H22N12O6S2.4K.15Na/c49-13-23(57)5-45(6-24(58)14-50)33-39-31(40-34(43-33)46(7-25(59)15-51)8-26(60)16-52)37-21-2-1-3-22(4-21)38-32-41-35(47(9-27(61)17-53)10-28(62)18-54)44-36(42-32)48(11-29(63)19-55)12-30(64)20-56;41-68(42,43)9-1-37(2-10-69(44,45)46)25-31-23(32-26(35-25)38(3-11-70(47,48)49)4-12-71(50,51)52)29-20-17-21(19-22(18-20)76(65,66)67)30-24-33-27(39(5-13-72(53,54)55)6-14-73(56,57)58)36-28(34-24)40(7-15-74(59,60)61)8-16-75(62,63)64;41-13-5-37(9-17-57(45,46)47)25-31-23(32-26(35-25)38(6-14-42)10-18-58(48,49)50)29-21-1-2-22(4-3-21)30-24-33-27(39(7-15-43)11-19-59(51,52)53)36-28(34-24)40(8-16-44)12-20-60(54,55)56;1-52(42,43)38-17-3-7-40(14-17)25-34-21(28-5-9-54(46,47)48)32-23(36-25)30-19-11-16(27)12-20(13-19)31-24-33-22(29-6-10-55(49,50)51)35-26(37-24)41-8-4-18(15-41)39-53(2,44)45;33-8-4-21-15-27-16(22-5-9-34)30-19(29-15)25-13-2-1-3-14(12-13)26-20-31-17(23-6-10-41(35,36)37)28-18(32-20)24-7-11-42(38,39)40;17-11-23-13(19-5-7-35(29,30)31)27-15(25-11)21-9-1-2-10(4-3-9)22-16-26-12(18)24-14(28-16)20-6-8-36(32,33)34;;;;;;;;;;;;;;;;;;;/h1-4,23-30,49-64H,5-20H2,(H,37,39,40,43)(H,38,41,42,44);17-19H,1-16H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,29,31,32,35)(H,30,33,34,36);1-4,41-44H,5-20H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,29,31,32,35)(H,30,33,34,36);11-13,17-18,38-39H,3-10,14-15H2,1-2H3,(H,46,47,48)(H,49,50,51)(H2,28,30,32,34,36)(H2,29,31,33,35,37);1-3,12,33-34H,4-11H2,(H,35,36,37)(H,38,39,40)(H3,21,22,25,27,29,30)(H3,23,24,26,28,31,32);1-4H,5-8H2,(H,29,30,31)(H,32,33,34)(H4,17,19,21,23,25,27)(H4,18,20,22,24,26,28);;;;;;;;;;;;;;;;;;;/q;;;;;;19*+1/p-19
InChIKeyRICAULZFAJJQPR-UHFFFAOYSA-A
XLogP-83.12
TPSA2426.24 Ų
H-Bond Donors46
H-Bond Acceptors155
Rotatable Bonds141
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005652.04
LogP ≤ 5-83.12
H-Bond Donors ≤ 546
H-Bond Acceptors ≤ 10155

Analyze tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate with MolForge

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What is the IUPAC name of tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate?
The IUPAC name of tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate (CID 160632452) is tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate.
What is the SMILES notation for tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate?
The canonical SMILES for tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate is CS(=O)(=O)NC1CCN(c2nc(NCCS(=O)(=O)[O-])nc(Nc3cc(Cl)cc(Nc4nc(NCCS(=O)(=O)[O-])nc(N5CCC(NS(C)(=O)=O)C5)n4)c3)n2)C1.Nc1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(Nc3nc(N)nc(NCCS(=O)(=O)[O-])n3)cc2)n1.O=S(=O)([O-])CCN(CCO)c1nc(Nc2ccc(Nc3nc(N(CCO)CCS(=O)(=O)[O-])nc(N(CCO)CCS(=O)(=O)[O-])n3)cc2)nc(N(CCO)CCS(=O)(=O)[O-])n1.O=S(=O)([O-])CCN(CCS(=O)(=O)[O-])c1nc(Nc2cc(Nc3nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])n3)cc(S(=O)(=O)[O-])c2)nc(N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])n1.O=S(=O)([O-])CCNc1nc(NCCS(=O)(=O)[O-])nc(Nc2cccc(Nc3nc(NCCO)nc(NCCO)n3)c2)n1.OCC(O)CN(CC(O)CO)c1nc(Nc2cccc(Nc3nc(N(CC(O)CO)CC(O)CO)nc(N(CC(O)CO)CC(O)CO)n3)c2)nc(N(CC(O)CO)CC(O)CO)n1.[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate?
The InChIKey is RICAULZFAJJQPR-UHFFFAOYSA-A. The full InChI is InChI=1S/C36H62N12O16.C28H46N12O27S9.C28H46N12O16S4.C26H39ClN14O10S4.C20H30N12O8S2.C16H22N12O6S2.4K.15Na/c49-13-23(57)5-45(6-24(58)14-50)33-39-31(40-34(43-33)46(7-25(59)15-51)8-26(60)16-52)37-21-2-1-3-22(4-21)38-32-41-35(47(9-27(61)17-53)10-28(62)18-54)44-36(42-32)48(11-29(63)19-55)12-30(64)20-56;41-68(42,43)9-1-37(2-10-69(44,45)46)25-31-23(32-26(35-25)38(3-11-70(47,48)49)4-12-71(50,51)52)29-20-17-21(19-22(18-20)76(65,66)67)30-24-33-27(39(5-13-72(53,54)55)6-14-73(56,57)58)36-28(34-24)40(7-15-74(59,60)61)8-16-75(62,63)64;41-13-5-37(9-17-57(45,46)47)25-31-23(32-26(35-25)38(6-14-42)10-18-58(48,49)50)29-21-1-2-22(4-3-21)30-24-33-27(39(7-15-43)11-19-59(51,52)53)36-28(34-24)40(8-16-44)12-20-60(54,55)56;1-52(42,43)38-17-3-7-40(14-17)25-34-21(28-5-9-54(46,47)48)32-23(36-25)30-19-11-16(27)12-20(13-19)31-24-33-22(29-6-10-55(49,50)51)35-26(37-24)41-8-4-18(15-41)39-53(2,44)45;33-8-4-21-15-27-16(22-5-9-34)30-19(29-15)25-13-2-1-3-14(12-13)26-20-31-17(23-6-10-41(35,36)37)28-18(32-20)24-7-11-42(38,39)40;17-11-23-13(19-5-7-35(29,30)31)27-15(25-11)21-9-1-2-10(4-3-9)22-16-26-12(18)24-14(28-16)20-6-8-36(32,33)34;;;;;;;;;;;;;;;;;;;/h1-4,23-30,49-64H,5-20H2,(H,37,39,40,43)(H,38,41,42,44);17-19H,1-16H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,29,31,32,35)(H,30,33,34,36);1-4,41-44H,5-20H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,29,31,32,35)(H,30,33,34,36);11-13,17-18,38-39H,3-10,14-15H2,1-2H3,(H,46,47,48)(H,49,50,51)(H2,28,30,32,34,36)(H2,29,31,33,35,37);1-3,12,33-34H,4-11H2,(H,35,36,37)(H,38,39,40)(H3,21,22,25,27,29,30)(H3,23,24,26,28,31,32);1-4H,5-8H2,(H,29,30,31)(H,32,33,34)(H4,17,19,21,23,25,27)(H4,18,20,22,24,26,28);;;;;;;;;;;;;;;;;;;/q;;;;;;19*+1/p-19.
What are the key properties of tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate?
tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate has a molecular weight of 5652.04 g/mol, XLogP of -83.12, 141 rotatable bonds, 46 hydrogen bond donors, and 155 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;pentadecasodium;2-[[4-amino-6-[4-[[4-amino-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3,5-bis[[4,6-bis[bis(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-[3-[[4,6-bis[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2,3-dihydroxypropyl)amino]-1,3,5-triazin-2-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol;2-[[4-[3-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[4-[[4,6-bis[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[2-hydroxyethyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanesulfonate;2-[[4-[3-chloro-5-[[4-[3-(methanesulfonamido)pyrrolidin-1-yl]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[3-(methanesulfonamido)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]ethanesulfonate is sourced from PubChem (CID 160632452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).