pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate

C151H142K3Li15N50Na4O69S18 — CID 158904027

IUPACpentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate
SMILESCN(C)CCNc1nc(NCC(=O)[O-])nc(Nc2ccc(Nc3nc(N=CCO[O-])nc(NCCN(C)C)n3)c(C(=O)[O-])c2)n1.Cc1cc(Nc2nc(NCCS(=O)(=O)[O-])nc(NCCS(=O)(=O)[O-])n2)c(C)cc1Nc1nc(NCCSOO[O-])nc(NCCSOO[O-])n1.O=C(Nc1ccc2c(S(=O)(=O)[O-])cc(SOO[O-])cc2c1)c1cccc(C(=O)Nc2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2)c1.O=C([O-])c1cccc(Cc2nc(Nc3ccc4c(S(=O)(=O)[O-])cc(SOO[O-])cc4c3)nc(Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3)n2)c1.O=S(=O)([O-])CCNc1nc(NCC(O)CO)nc(Nc2cccc(Nc3nc(NCCSOO[O-])nc(NCC(O)CO)n3)c2)n1.O=c1nc(Nc2ccc3c(S(=O)(=O)[O-])cc(SOO[O-])cc3c2)nc(Nc2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2)[nH]1.[K+].[K+].[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C31H23N5O14S4.C28H20N2O14S4.C25H36N14O6.C23H17N5O13S4.C22H34N12O12S4.C22H34N12O10S2.3K.15Li.4Na/c37-29(38)17-3-1-2-16(8-17)9-28-34-30(32-20-4-6-24-18(10-20)12-22(51-50-49-39)14-26(24)53(43,44)45)36-31(35-28)33-21-5-7-25-19(11-21)13-23(52(40,41)42)15-27(25)54(46,47)48;31-27(29-19-4-6-23-17(9-19)11-21(45-44-43-33)13-25(23)47(37,38)39)15-2-1-3-16(8-15)28(32)30-20-5-7-24-18(10-20)12-22(46(34,35)36)14-26(24)48(40,41)42;1-38(2)10-7-26-20-32-22(28-9-12-45-44)36-25(35-20)31-17-6-5-15(13-16(17)19(42)43)30-24-34-21(27-8-11-39(3)4)33-23(37-24)29-14-18(40)41;29-23-27-21(24-13-1-3-17-11(5-13)7-15(42-41-40-30)9-19(17)44(34,35)36)26-22(28-23)25-14-2-4-18-12(6-14)8-16(43(31,32)33)10-20(18)45(37,38)39;1-13-12-16(28-22-33-19(25-5-9-49(37,38)39)30-20(34-22)26-6-10-50(40,41)42)14(2)11-15(13)27-21-31-17(23-3-7-47-45-43-35)29-18(32-21)24-4-8-48-46-44-36;35-11-15(37)9-25-19-29-17(23-4-6-45-44-43-39)31-21(33-19)27-13-2-1-3-14(8-13)28-22-32-18(24-5-7-46(40,41)42)30-20(34-22)26-10-16(38)12-36;;;;;;;;;;;;;;;;;;;;;;/h1-8,10-15,39H,9H2,(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,32,33,34,35,36);1-14,33H,(H,29,31)(H,30,32)(H,34,35,36)(H,37,38,39)(H,40,41,42);5-6,9,13,44H,7-8,10-12,14H2,1-4H3,(H,40,41)(H,42,43)(H2,26,31,32,35,36)(H3,27,29,30,33,34,37);1-10,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H3,24,25,26,27,28,29);11-12,35-36H,3-10H2,1-2H3,(H,37,38,39)(H,40,41,42)(H3,23,24,27,29,31,32)(H3,25,26,28,30,33,34);1-3,8,15-16,35-39H,4-7,9-12H2,(H,40,41,42)(H3,23,25,27,29,31,33)(H3,24,26,28,30,32,34);;;;;;;;;;;;;;;;;;;;;;/q;;;;;;22*+1/p-22
InChIKeyJFUSOJYSGMPLRN-UHFFFAOYSA-A
MW4651.65 g/mol
LogP-68.04
Rot. Bonds98

About pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate

pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate (PubChem CID 158904027) has the molecular formula C151H142K3Li15N50Na4O69S18 and a molecular weight of 4651.65 g/mol. Its IUPAC name is pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate.

Molecular Properties

Compound Namepentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate
PubChem CID158904027
Molecular FormulaC151H142K3Li15N50Na4O69S18
Molecular Weight4651.65 g/mol
Exact Mass4648.50
IUPAC Namepentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate
SMILESCN(C)CCNc1nc(NCC(=O)[O-])nc(Nc2ccc(Nc3nc(N=CCO[O-])nc(NCCN(C)C)n3)c(C(=O)[O-])c2)n1.Cc1cc(Nc2nc(NCCS(=O)(=O)[O-])nc(NCCS(=O)(=O)[O-])n2)c(C)cc1Nc1nc(NCCSOO[O-])nc(NCCSOO[O-])n1.O=C(Nc1ccc2c(S(=O)(=O)[O-])cc(SOO[O-])cc2c1)c1cccc(C(=O)Nc2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2)c1.O=C([O-])c1cccc(Cc2nc(Nc3ccc4c(S(=O)(=O)[O-])cc(SOO[O-])cc4c3)nc(Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3)n2)c1.O=S(=O)([O-])CCNc1nc(NCC(O)CO)nc(Nc2cccc(Nc3nc(NCCSOO[O-])nc(NCC(O)CO)n3)c2)n1.O=c1nc(Nc2ccc3c(S(=O)(=O)[O-])cc(SOO[O-])cc3c2)nc(Nc2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2)[nH]1.[K+].[K+].[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C31H23N5O14S4.C28H20N2O14S4.C25H36N14O6.C23H17N5O13S4.C22H34N12O12S4.C22H34N12O10S2.3K.15Li.4Na/c37-29(38)17-3-1-2-16(8-17)9-28-34-30(32-20-4-6-24-18(10-20)12-22(51-50-49-39)14-26(24)53(43,44)45)36-31(35-28)33-21-5-7-25-19(11-21)13-23(52(40,41)42)15-27(25)54(46,47)48;31-27(29-19-4-6-23-17(9-19)11-21(45-44-43-33)13-25(23)47(37,38)39)15-2-1-3-16(8-15)28(32)30-20-5-7-24-18(10-20)12-22(46(34,35)36)14-26(24)48(40,41)42;1-38(2)10-7-26-20-32-22(28-9-12-45-44)36-25(35-20)31-17-6-5-15(13-16(17)19(42)43)30-24-34-21(27-8-11-39(3)4)33-23(37-24)29-14-18(40)41;29-23-27-21(24-13-1-3-17-11(5-13)7-15(42-41-40-30)9-19(17)44(34,35)36)26-22(28-23)25-14-2-4-18-12(6-14)8-16(43(31,32)33)10-20(18)45(37,38)39;1-13-12-16(28-22-33-19(25-5-9-49(37,38)39)30-20(34-22)26-6-10-50(40,41)42)14(2)11-15(13)27-21-31-17(23-3-7-47-45-43-35)29-18(32-21)24-4-8-48-46-44-36;35-11-15(37)9-25-19-29-17(23-4-6-45-44-43-39)31-21(33-19)27-13-2-1-3-14(8-13)28-22-32-18(24-5-7-46(40,41)42)30-20(34-22)26-10-16(38)12-36;;;;;;;;;;;;;;;;;;;;;;/h1-8,10-15,39H,9H2,(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,32,33,34,35,36);1-14,33H,(H,29,31)(H,30,32)(H,34,35,36)(H,37,38,39)(H,40,41,42);5-6,9,13,44H,7-8,10-12,14H2,1-4H3,(H,40,41)(H,42,43)(H2,26,31,32,35,36)(H3,27,29,30,33,34,37);1-10,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H3,24,25,26,27,28,29);11-12,35-36H,3-10H2,1-2H3,(H,37,38,39)(H,40,41,42)(H3,23,24,27,29,31,32)(H3,25,26,28,30,33,34);1-3,8,15-16,35-39H,4-7,9-12H2,(H,40,41,42)(H3,23,25,27,29,31,33)(H3,24,26,28,30,32,34);;;;;;;;;;;;;;;;;;;;;;/q;;;;;;22*+1/p-22
InChIKeyJFUSOJYSGMPLRN-UHFFFAOYSA-A
XLogP-68.04
TPSA1828.12 Ų
H-Bond Donors28
H-Bond Acceptors122
Rotatable Bonds98
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004651.65
LogP ≤ 5-68.04
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 10122

Analyze pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate
CID 157305630
6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate
CID 58716207
lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate
CID 162190920
octalithium;tripotassium;tetrasodium;amino (Z)-2-[[4-[2-[[4-[(Z)-1-aminooxy-4-aminoperoxy-1-oxobut-3-en-2-yl]oxy-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-4-aminoperoxybut-3-enoate;5-[[4-(1-aminoethenylamino)-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]-2-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-anilino-6-[4-[[4-anilino-6-[[(E)-3-carboxylato-1-oxidooxyprop-1-en-2-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]butanedioate;2-[[4-[bis(2-hydroxyethyl)amino]-6-[3-[[4-[bis(2-hydroxyethyl)amino]-6-(2-oxidoperoxysulfanyl-5-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-oxidoperoxysulfanylbenzenesulfonate;ethane;3-[[4-[[5-[[2-[(7-oxidoperoxysulfanyl-4-sulfinatonaphthalen-2-yl)amino]-6-pyrrolidin-1-yl-1,4-dihydro-1,3,5-triazin-4-yl]amino]naphthalen-1-yl]amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]naphthalene-1,6-disulfonate
CID 158362066
dilithium;dipotassium;hexasodium;amino 2-[[4-[3-[[4-(1-aminoperoxysulfinylethenylamino)-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]anilino]-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;tris(2-[[4-[bis(2-hydroxyethyl)amino]-6-[3-[[4-[bis(2-hydroxyethyl)amino]-6-(2-oxidoperoxysulfanylethylideneamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate);2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylideneamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;2-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-[3-[[4-methyl-6-(2-oxidoperoxysulfanylethylideneamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate
CID 159729611
pentasodium;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate
CID 22964943
6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-sulfonato-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate
CID 58716133
hexasodium;6-[[4-[(5-oxidoperoxysulfanyl-7-sulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate
CID 21338038
pentasodium;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(5-sulfonato-7H-naphthalen-7-id-2-yl)amino]-1,3,5-triazin-2-yl]amino]benzoate
CID 23554171
tetrasodium;6-[[4-chloro-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate
CID 21338047
tetrasodium;5-[[4-(3-hydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(3-hydroxypropylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 21365548
pentasodium;3-[[2,6-bis[(5,7-disulfonatonaphthalen-2-yl)amino]-1H-1,3,5-triazin-4-ylidene]amino]benzoate
CID 170847523

Frequently Asked Questions

What is the IUPAC name of pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate?
The IUPAC name of pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate (CID 158904027) is pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate.
What is the SMILES notation for pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate?
The canonical SMILES for pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate is CN(C)CCNc1nc(NCC(=O)[O-])nc(Nc2ccc(Nc3nc(N=CCO[O-])nc(NCCN(C)C)n3)c(C(=O)[O-])c2)n1.Cc1cc(Nc2nc(NCCS(=O)(=O)[O-])nc(NCCS(=O)(=O)[O-])n2)c(C)cc1Nc1nc(NCCSOO[O-])nc(NCCSOO[O-])n1.O=C(Nc1ccc2c(S(=O)(=O)[O-])cc(SOO[O-])cc2c1)c1cccc(C(=O)Nc2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2)c1.O=C([O-])c1cccc(Cc2nc(Nc3ccc4c(S(=O)(=O)[O-])cc(SOO[O-])cc4c3)nc(Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3)n2)c1.O=S(=O)([O-])CCNc1nc(NCC(O)CO)nc(Nc2cccc(Nc3nc(NCCSOO[O-])nc(NCC(O)CO)n3)c2)n1.O=c1nc(Nc2ccc3c(S(=O)(=O)[O-])cc(SOO[O-])cc3c2)nc(Nc2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2)[nH]1.[K+].[K+].[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate?
The InChIKey is JFUSOJYSGMPLRN-UHFFFAOYSA-A. The full InChI is InChI=1S/C31H23N5O14S4.C28H20N2O14S4.C25H36N14O6.C23H17N5O13S4.C22H34N12O12S4.C22H34N12O10S2.3K.15Li.4Na/c37-29(38)17-3-1-2-16(8-17)9-28-34-30(32-20-4-6-24-18(10-20)12-22(51-50-49-39)14-26(24)53(43,44)45)36-31(35-28)33-21-5-7-25-19(11-21)13-23(52(40,41)42)15-27(25)54(46,47)48;31-27(29-19-4-6-23-17(9-19)11-21(45-44-43-33)13-25(23)47(37,38)39)15-2-1-3-16(8-15)28(32)30-20-5-7-24-18(10-20)12-22(46(34,35)36)14-26(24)48(40,41)42;1-38(2)10-7-26-20-32-22(28-9-12-45-44)36-25(35-20)31-17-6-5-15(13-16(17)19(42)43)30-24-34-21(27-8-11-39(3)4)33-23(37-24)29-14-18(40)41;29-23-27-21(24-13-1-3-17-11(5-13)7-15(42-41-40-30)9-19(17)44(34,35)36)26-22(28-23)25-14-2-4-18-12(6-14)8-16(43(31,32)33)10-20(18)45(37,38)39;1-13-12-16(28-22-33-19(25-5-9-49(37,38)39)30-20(34-22)26-6-10-50(40,41)42)14(2)11-15(13)27-21-31-17(23-3-7-47-45-43-35)29-18(32-21)24-4-8-48-46-44-36;35-11-15(37)9-25-19-29-17(23-4-6-45-44-43-39)31-21(33-19)27-13-2-1-3-14(8-13)28-22-32-18(24-5-7-46(40,41)42)30-20(34-22)26-10-16(38)12-36;;;;;;;;;;;;;;;;;;;;;;/h1-8,10-15,39H,9H2,(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,32,33,34,35,36);1-14,33H,(H,29,31)(H,30,32)(H,34,35,36)(H,37,38,39)(H,40,41,42);5-6,9,13,44H,7-8,10-12,14H2,1-4H3,(H,40,41)(H,42,43)(H2,26,31,32,35,36)(H3,27,29,30,33,34,37);1-10,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H3,24,25,26,27,28,29);11-12,35-36H,3-10H2,1-2H3,(H,37,38,39)(H,40,41,42)(H3,23,24,27,29,31,32)(H3,25,26,28,30,33,34);1-3,8,15-16,35-39H,4-7,9-12H2,(H,40,41,42)(H3,23,25,27,29,31,33)(H3,24,26,28,30,32,34);;;;;;;;;;;;;;;;;;;;;;/q;;;;;;22*+1/p-22.
What are the key properties of pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate?
pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate has a molecular weight of 4651.65 g/mol, XLogP of -68.04, 98 rotatable bonds, 28 hydrogen bond donors, and 122 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecalithium;tripotassium;tetrasodium;2-[[4-[4-[[4,6-bis(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2,5-dimethylanilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonate;5-[[4-(carboxylatomethylamino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[[4-[2-(dimethylamino)ethylamino]-6-(2-oxidooxyethylideneamino)-1,3,5-triazin-2-yl]amino]benzoate;2-[[4-(2,3-dihydroxypropylamino)-6-[3-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanesulfonate;3-[[4-[(5,7-disulfonatonaphthalen-2-yl)amino]-6-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]methyl]benzoate;6-[[4-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)amino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate;6-[[3-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate is sourced from PubChem (CID 158904027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).