octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate

C181H103Cl9K18N50Na8O55S3 — CID 157365754

IUPACoctadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate
SMILESCC(C)(C)c1nn(-c2nc(Nc3cc(O[C-]=O)cc(C(=O)[O-])c3)nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c(N)c1/N=N/c1cc(C(=O)[O-])c(Cl)cc1Cl.CC(C)(C)c1nn(-c2nc(Nc3cc(O[C-]=O)cc(C(=O)[O-])c3)nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c(N)c1/N=N/c1cc(S(=O)(=O)[O-])ccc1Cl.Nc1c(/N=N/c2cc(C(=O)[O-])c(Cl)cc2Cl)c(-c2ccccc2)nn1-c1nc(Nc2cc(O[C-]=O)cc(C(=O)[O-])c2)nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1.Nc1c(/N=N/c2cc(C(=O)[O-])ccc2Cl)c(-c2ccccc2)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1.Nc1c(/N=N/c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)c(-c2ccccc2)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1.Nc1c(/N=N/c2cc(S(=O)(=O)[O-])ccc2Cl)c(-c2ccccc2)nn1-c1nc(Nc2cc(O[C-]=O)cc(C(=O)[O-])c2)nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C35H21Cl2N10O10.C34H22ClN10O11S.C33H25Cl2N10O10.C32H26ClN10O11S.C24H16ClN5O6.C23H15Cl2N5O7S.18K.8Na/c36-23-13-24(37)25(12-22(23)32(55)56)44-45-27-26(15-4-2-1-3-5-15)46-47(28(27)38)35-42-33(39-19-7-16(29(49)50)6-17(8-19)30(51)52)41-34(43-35)40-20-9-18(31(53)54)10-21(11-20)57-14-48;35-24-7-6-23(57(53,54)55)14-25(24)42-43-27-26(16-4-2-1-3-5-16)44-45(28(27)36)34-40-32(37-20-9-17(29(47)48)8-18(10-20)30(49)50)39-33(41-34)38-21-11-19(31(51)52)12-22(13-21)56-15-46;1-33(2,3)24-23(43-42-22-10-19(29(53)54)20(34)11-21(22)35)25(36)45(44-24)32-40-30(37-16-5-13(26(47)48)4-14(6-16)27(49)50)39-31(41-32)38-17-7-15(28(51)52)8-18(9-17)55-12-46;1-32(2,3)24-23(41-40-22-12-20(55(51,52)53)4-5-21(22)33)25(34)43(42-24)31-38-29(35-17-7-14(26(45)46)6-15(8-17)27(47)48)37-30(39-31)36-18-9-16(28(49)50)10-19(11-18)54-13-44;25-17-7-6-13(22(31)32)11-18(17)27-28-20-19(12-4-2-1-3-5-12)29-30(21(20)26)16-9-14(23(33)34)8-15(10-16)24(35)36;24-15-10-18(38(35,36)37)16(25)9-17(15)27-28-20-19(11-4-2-1-3-5-11)29-30(21(20)26)14-7-12(22(31)32)6-13(8-14)23(33)34;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-13H,38H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H2,39,40,41,42,43);1-14H,36H2,(H,47,48)(H,49,50)(H,51,52)(H,53,54,55)(H2,37,38,39,40,41);4-11H,36H2,1-3H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H2,37,38,39,40,41);4-12H,34H2,1-3H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52,53)(H2,35,36,37,38,39);1-11H,26H2,(H,31,32)(H,33,34)(H,35,36);1-10H,26H2,(H,31,32)(H,33,34)(H,35,36,37);;;;;;;;;;;;;;;;;;;;;;;;;;/q4*-1;;;26*+1/p-22/b45-44+;2*43-42+;41-40+;2*28-27+;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQNEOZGQZXCPKTO-IVDNNHEOSA-A
MW5161.07 g/mol
LogP-69.44
Rot. Bonds68

About octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate

octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate (PubChem CID 157365754) has the molecular formula C181H103Cl9K18N50Na8O55S3 and a molecular weight of 5161.07 g/mol. Its IUPAC name is octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Nameoctadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate
PubChem CID157365754
Molecular FormulaC181H103Cl9K18N50Na8O55S3
Molecular Weight5161.07 g/mol
Exact Mass5151.58
IUPAC Nameoctadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate
SMILESCC(C)(C)c1nn(-c2nc(Nc3cc(O[C-]=O)cc(C(=O)[O-])c3)nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c(N)c1/N=N/c1cc(C(=O)[O-])c(Cl)cc1Cl.CC(C)(C)c1nn(-c2nc(Nc3cc(O[C-]=O)cc(C(=O)[O-])c3)nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c(N)c1/N=N/c1cc(S(=O)(=O)[O-])ccc1Cl.Nc1c(/N=N/c2cc(C(=O)[O-])c(Cl)cc2Cl)c(-c2ccccc2)nn1-c1nc(Nc2cc(O[C-]=O)cc(C(=O)[O-])c2)nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1.Nc1c(/N=N/c2cc(C(=O)[O-])ccc2Cl)c(-c2ccccc2)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1.Nc1c(/N=N/c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)c(-c2ccccc2)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1.Nc1c(/N=N/c2cc(S(=O)(=O)[O-])ccc2Cl)c(-c2ccccc2)nn1-c1nc(Nc2cc(O[C-]=O)cc(C(=O)[O-])c2)nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C35H21Cl2N10O10.C34H22ClN10O11S.C33H25Cl2N10O10.C32H26ClN10O11S.C24H16ClN5O6.C23H15Cl2N5O7S.18K.8Na/c36-23-13-24(37)25(12-22(23)32(55)56)44-45-27-26(15-4-2-1-3-5-15)46-47(28(27)38)35-42-33(39-19-7-16(29(49)50)6-17(8-19)30(51)52)41-34(43-35)40-20-9-18(31(53)54)10-21(11-20)57-14-48;35-24-7-6-23(57(53,54)55)14-25(24)42-43-27-26(16-4-2-1-3-5-16)44-45(28(27)36)34-40-32(37-20-9-17(29(47)48)8-18(10-20)30(49)50)39-33(41-34)38-21-11-19(31(51)52)12-22(13-21)56-15-46;1-33(2,3)24-23(43-42-22-10-19(29(53)54)20(34)11-21(22)35)25(36)45(44-24)32-40-30(37-16-5-13(26(47)48)4-14(6-16)27(49)50)39-31(41-32)38-17-7-15(28(51)52)8-18(9-17)55-12-46;1-32(2,3)24-23(41-40-22-12-20(55(51,52)53)4-5-21(22)33)25(34)43(42-24)31-38-29(35-17-7-14(26(45)46)6-15(8-17)27(47)48)37-30(39-31)36-18-9-16(28(49)50)10-19(11-18)54-13-44;25-17-7-6-13(22(31)32)11-18(17)27-28-20-19(12-4-2-1-3-5-12)29-30(21(20)26)16-9-14(23(33)34)8-15(10-16)24(35)36;24-15-10-18(38(35,36)37)16(25)9-17(15)27-28-20-19(11-4-2-1-3-5-11)29-30(21(20)26)14-7-12(22(31)32)6-13(8-14)23(33)34;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-13H,38H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H2,39,40,41,42,43);1-14H,36H2,(H,47,48)(H,49,50)(H,51,52)(H,53,54,55)(H2,37,38,39,40,41);4-11H,36H2,1-3H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H2,37,38,39,40,41);4-12H,34H2,1-3H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52,53)(H2,35,36,37,38,39);1-11H,26H2,(H,31,32)(H,33,34)(H,35,36);1-10H,26H2,(H,31,32)(H,33,34)(H,35,36,37);;;;;;;;;;;;;;;;;;;;;;;;;;/q4*-1;;;26*+1/p-22/b45-44+;2*43-42+;41-40+;2*28-27+;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQNEOZGQZXCPKTO-IVDNNHEOSA-A
XLogP-69.44
TPSA1701.55 Ų
H-Bond Donors14
H-Bond Acceptors105
Rotatable Bonds68
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005161.07
LogP ≤ 5-69.44
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 10105

Analyze octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate?
The IUPAC name of octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate (CID 157365754) is octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate.
What is the SMILES notation for octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate?
The canonical SMILES for octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate is CC(C)(C)c1nn(-c2nc(Nc3cc(O[C-]=O)cc(C(=O)[O-])c3)nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c(N)c1/N=N/c1cc(C(=O)[O-])c(Cl)cc1Cl.CC(C)(C)c1nn(-c2nc(Nc3cc(O[C-]=O)cc(C(=O)[O-])c3)nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c(N)c1/N=N/c1cc(S(=O)(=O)[O-])ccc1Cl.Nc1c(/N=N/c2cc(C(=O)[O-])c(Cl)cc2Cl)c(-c2ccccc2)nn1-c1nc(Nc2cc(O[C-]=O)cc(C(=O)[O-])c2)nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1.Nc1c(/N=N/c2cc(C(=O)[O-])ccc2Cl)c(-c2ccccc2)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1.Nc1c(/N=N/c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)c(-c2ccccc2)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1.Nc1c(/N=N/c2cc(S(=O)(=O)[O-])ccc2Cl)c(-c2ccccc2)nn1-c1nc(Nc2cc(O[C-]=O)cc(C(=O)[O-])c2)nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate?
The InChIKey is QNEOZGQZXCPKTO-IVDNNHEOSA-A. The full InChI is InChI=1S/C35H21Cl2N10O10.C34H22ClN10O11S.C33H25Cl2N10O10.C32H26ClN10O11S.C24H16ClN5O6.C23H15Cl2N5O7S.18K.8Na/c36-23-13-24(37)25(12-22(23)32(55)56)44-45-27-26(15-4-2-1-3-5-15)46-47(28(27)38)35-42-33(39-19-7-16(29(49)50)6-17(8-19)30(51)52)41-34(43-35)40-20-9-18(31(53)54)10-21(11-20)57-14-48;35-24-7-6-23(57(53,54)55)14-25(24)42-43-27-26(16-4-2-1-3-5-16)44-45(28(27)36)34-40-32(37-20-9-17(29(47)48)8-18(10-20)30(49)50)39-33(41-34)38-21-11-19(31(51)52)12-22(13-21)56-15-46;1-33(2,3)24-23(43-42-22-10-19(29(53)54)20(34)11-21(22)35)25(36)45(44-24)32-40-30(37-16-5-13(26(47)48)4-14(6-16)27(49)50)39-31(41-32)38-17-7-15(28(51)52)8-18(9-17)55-12-46;1-32(2,3)24-23(41-40-22-12-20(55(51,52)53)4-5-21(22)33)25(34)43(42-24)31-38-29(35-17-7-14(26(45)46)6-15(8-17)27(47)48)37-30(39-31)36-18-9-16(28(49)50)10-19(11-18)54-13-44;25-17-7-6-13(22(31)32)11-18(17)27-28-20-19(12-4-2-1-3-5-12)29-30(21(20)26)16-9-14(23(33)34)8-15(10-16)24(35)36;24-15-10-18(38(35,36)37)16(25)9-17(15)27-28-20-19(11-4-2-1-3-5-11)29-30(21(20)26)14-7-12(22(31)32)6-13(8-14)23(33)34;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-13H,38H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H2,39,40,41,42,43);1-14H,36H2,(H,47,48)(H,49,50)(H,51,52)(H,53,54,55)(H2,37,38,39,40,41);4-11H,36H2,1-3H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H2,37,38,39,40,41);4-12H,34H2,1-3H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52,53)(H2,35,36,37,38,39);1-11H,26H2,(H,31,32)(H,33,34)(H,35,36);1-10H,26H2,(H,31,32)(H,33,34)(H,35,36,37);;;;;;;;;;;;;;;;;;;;;;;;;;/q4*-1;;;26*+1/p-22/b45-44+;2*43-42+;41-40+;2*28-27+;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate?
octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate has a molecular weight of 5161.07 g/mol, XLogP of -69.44, 68 rotatable bonds, 14 hydrogen bond donors, and 105 hydrogen bond acceptors.
Where does this data come from?
All data for octadecapotassium;octasodium;5-[[4-[5-amino-3-tert-butyl-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-3-tert-butyl-4-[(2-chloro-5-sulfonatophenyl)diazenyl]pyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(5-carboxylato-2-chlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(5-carboxylato-2,4-dichlorophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[[4-[5-amino-4-[(2-chloro-5-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]-6-[3-carboxylato-5-(oxomethoxy)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate;5-[5-amino-4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 157365754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).