5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid

C115H77Cl4N57O25S2 — CID 136648447

About 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid

5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid (PubChem CID 136648447) has the molecular formula C115H77Cl4N57O25S2 and a molecular weight of 2863.20 g/mol. Its IUPAC name is 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid.

Molecular Properties

• Compound Name: 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid
• PubChem CID: 136648447
• Molecular Formula: C115H77Cl4N57O25S2
• Molecular Weight: 2863.20 g/mol
• Exact Mass: 2859.47
• IUPAC Name: 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid
• SMILES: Cc1nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4cc(Cl)c(S(=O)(=O)O)cc4Cl)c3N)n2)c(N)c1/N=N/c1c(C#N)cnn1-c1cc(Cl)c(S(=O)(=O)O)cc1Cl.[C-]#[N+]c1c(-c2ccccc2)nn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(-c5ccccc5)nn4-c4cc(OC=O)cc(C(=O)O)c4)c3N)n2)c1N.[C-]#[N+]c1c(C)nn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4cc(C(=O)O)cc(C(=O)O)c4)c3N)n2)c1N
• InChI: InChI=1S/C47H31N19O9.C37H27N19O9.C31H19Cl4N19O7S2/c1-22-33(55-57-40-32(20-48)35(24-10-6-4-7-11-24)61-63(40)30-17-28(44(72)73)18-31(19-30)75-21-67)38(49)65(59-22)45-52-46(54-47(74)53-45)66-39(50)34(23(2)60-66)56-58-41-37(51-3)36(25-12-8-5-9-13-25)62-64(41)29-15-26(42(68)69)14-27(16-29)43(70)71;1-13-23(12-38)29(53(49-13)21-8-17(31(57)58)6-18(9-21)32(59)60)47-45-24-14(2)51-55(27(24)39)35-42-36(44-37(65)43-35)56-28(40)25(15(3)52-56)46-48-30-26(41-5)16(4)50-54(30)22-10-19(33(61)62)7-20(11-22)34(63)64;1-11-23(45-47-27-13(7-36)9-40-51(27)19-3-17(34)21(5-15(19)32)62(56,57)58)25(38)53(49-11)29-42-30(44-31(55)43-29)54-26(39)24(12(2)50-54)46-48-28-14(8-37)10-41-52(28)20-4-18(35)22(6-16(20)33)63(59,60)61/h4-19,21H,49-50H2,1-2H3,(H,68,69)(H,70,71)(H,72,73)(H,52,53,54,74);6-11H,39-40H2,1-4H3,(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,42,43,44,65);3-6,9-10H,38-39H2,1-2H3,(H,56,57,58)(H,59,60,61)(H,42,43,44,55)/b57-55+,58-56+;2*47-45+,48-46+
• InChIKey: PKNHAJYORKQFTP-ISNJYXBCSA-N
• XLogP: 17.86
• TPSA: 1195.00 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 71
• Rotatable Bonds: 37
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2863.20
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid?

The IUPAC name of 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid (CID 136648447) is 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid.

What is the SMILES notation for 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid?

The canonical SMILES for 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid is Cc1nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4cc(Cl)c(S(=O)(=O)O)cc4Cl)c3N)n2)c(N)c1/N=N/c1c(C#N)cnn1-c1cc(Cl)c(S(=O)(=O)O)cc1Cl.[C-]#[N+]c1c(-c2ccccc2)nn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(-c5ccccc5)nn4-c4cc(OC=O)cc(C(=O)O)c4)c3N)n2)c1N.[C-]#[N+]c1c(C)nn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4cc(C(=O)O)cc(C(=O)O)c4)c3N)n2)c1N.

What is the InChIKey of 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid?

The InChIKey is PKNHAJYORKQFTP-ISNJYXBCSA-N. The full InChI is InChI=1S/C47H31N19O9.C37H27N19O9.C31H19Cl4N19O7S2/c1-22-33(55-57-40-32(20-48)35(24-10-6-4-7-11-24)61-63(40)30-17-28(44(72)73)18-31(19-30)75-21-67)38(49)65(59-22)45-52-46(54-47(74)53-45)66-39(50)34(23(2)60-66)56-58-41-37(51-3)36(25-12-8-5-9-13-25)62-64(41)29-15-26(42(68)69)14-27(16-29)43(70)71;1-13-23(12-38)29(53(49-13)21-8-17(31(57)58)6-18(9-21)32(59)60)47-45-24-14(2)51-55(27(24)39)35-42-36(44-37(65)43-35)56-28(40)25(15(3)52-56)46-48-30-26(41-5)16(4)50-54(30)22-10-19(33(61)62)7-20(11-22)34(63)64;1-11-23(45-47-27-13(7-36)9-40-51(27)19-3-17(34)21(5-15(19)32)62(56,57)58)25(38)53(49-11)29-42-30(44-31(55)43-29)54-26(39)24(12(2)50-54)46-48-28-14(8-37)10-41-52(28)20-4-18(35)22(6-16(20)33)63(59,60)61/h4-19,21H,49-50H2,1-2H3,(H,68,69)(H,70,71)(H,72,73)(H,52,53,54,74);6-11H,39-40H2,1-4H3,(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,42,43,44,65);3-6,9-10H,38-39H2,1-2H3,(H,56,57,58)(H,59,60,61)(H,42,43,44,55)/b57-55+,58-56+;2*47-45+,48-46+.

What are the key properties of 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid?

5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid has a molecular weight of 2863.20 g/mol, XLogP of 17.86, 37 rotatable bonds, 18 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxy-5-formyloxyphenyl)-4-cyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-isocyano-3-phenylpyrazol-1-yl]benzene-1,3-dicarboxylic acid;4-[5-[[5-amino-1-[4-[5-amino-4-[[4-cyano-1-(2,5-dichloro-4-sulfophenyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;5-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3,5-dicarboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 136648447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).