5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid

C120H112N38O33 — CID 157188503

About 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid

5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid (PubChem CID 157188503) has the molecular formula C120H112N38O33 and a molecular weight of 2614.45 g/mol. Its IUPAC name is 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

• Compound Name: 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid
• PubChem CID: 157188503
• Molecular Formula: C120H112N38O33
• Molecular Weight: 2614.45 g/mol
• Exact Mass: 2612.83
• IUPAC Name: 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid
• SMILES: Cc1cc(=O)n(CCNc2nc(CNCO)nc(Nc3ccc(Nc4nc(NCCO)nc(NCCn5c(O)c(/N=N/c6cc(C(=O)O)cc(C(=O)O)c6)c(C)cc5=O)n4)cc3)n2)c(O)c1/N=N/c1cc(C(=O)O)cc(C(=O)O)c1.Cc1cc(Nc2nc(NCCO)nc(Nc3ccc(/N=N/c4cc(C(=O)O)cc(C(=O)O)c4)c(C)c3)n2)ccc1/N=N/c1cc(C(=O)O)cc(C(=O)O)c1.Cc1cc(Nc2nc(Nc3ccc(/N=N/c4cc(C(=O)O)cc(C(=O)O)c4)c(C)c3)nc(N(CCO)CCO)n2)ccc1/N=N/c1cc(C(=O)O)cc(C(=O)O)c1
• InChI: InChI=1S/C48H48N18O14.C37H34N10O10.C35H30N10O9/c1-23-13-34(69)65(38(71)36(23)63-61-31-17-25(40(73)74)15-26(18-31)41(75)76)10-7-50-44-55-33(21-49-22-68)56-47(58-44)53-29-3-5-30(6-4-29)54-48-59-45(57-46(60-48)52-9-12-67)51-8-11-66-35(70)14-24(2)37(39(66)72)64-62-32-19-27(42(77)78)16-28(20-32)43(79)80;1-19-11-25(3-5-29(19)45-43-27-15-21(31(50)51)13-22(16-27)32(52)53)38-35-40-36(42-37(41-35)47(7-9-48)8-10-49)39-26-4-6-30(20(2)12-26)46-44-28-17-23(33(54)55)14-24(18-28)34(56)57;1-17-9-23(3-5-27(17)44-42-25-13-19(29(47)48)11-20(14-25)30(49)50)37-34-39-33(36-7-8-46)40-35(41-34)38-24-4-6-28(18(2)10-24)45-43-26-15-21(31(51)52)12-22(16-26)32(53)54/h3-6,13-20,49,67-68,71-72H,7-12,21-22H2,1-2H3,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H2,50,53,55,56,58)(H3,51,52,54,57,59,60);3-6,11-18,48-49H,7-10H2,1-2H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H2,38,39,40,41,42);3-6,9-16,46H,7-8H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H3,36,37,38,39,40,41)/b63-61+,64-62+;45-43+,46-44+;44-42+,45-43+
• InChIKey: APKLDWPPUAJVER-HVDHQAQTSA-N
• XLogP: 17.58
• TPSA: 1071.78 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 59
• Rotatable Bonds: 58
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2614.45
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid?

The IUPAC name of 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid (CID 157188503) is 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid.

What is the SMILES notation for 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid?

The canonical SMILES for 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid is Cc1cc(=O)n(CCNc2nc(CNCO)nc(Nc3ccc(Nc4nc(NCCO)nc(NCCn5c(O)c(/N=N/c6cc(C(=O)O)cc(C(=O)O)c6)c(C)cc5=O)n4)cc3)n2)c(O)c1/N=N/c1cc(C(=O)O)cc(C(=O)O)c1.Cc1cc(Nc2nc(NCCO)nc(Nc3ccc(/N=N/c4cc(C(=O)O)cc(C(=O)O)c4)c(C)c3)n2)ccc1/N=N/c1cc(C(=O)O)cc(C(=O)O)c1.Cc1cc(Nc2nc(Nc3ccc(/N=N/c4cc(C(=O)O)cc(C(=O)O)c4)c(C)c3)nc(N(CCO)CCO)n2)ccc1/N=N/c1cc(C(=O)O)cc(C(=O)O)c1.

What is the InChIKey of 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid?

The InChIKey is APKLDWPPUAJVER-HVDHQAQTSA-N. The full InChI is InChI=1S/C48H48N18O14.C37H34N10O10.C35H30N10O9/c1-23-13-34(69)65(38(71)36(23)63-61-31-17-25(40(73)74)15-26(18-31)41(75)76)10-7-50-44-55-33(21-49-22-68)56-47(58-44)53-29-3-5-30(6-4-29)54-48-59-45(57-46(60-48)52-9-12-67)51-8-11-66-35(70)14-24(2)37(39(66)72)64-62-32-19-27(42(77)78)16-28(20-32)43(79)80;1-19-11-25(3-5-29(19)45-43-27-15-21(31(50)51)13-22(16-27)32(52)53)38-35-40-36(42-37(41-35)47(7-9-48)8-10-49)39-26-4-6-30(20(2)12-26)46-44-28-17-23(33(54)55)14-24(18-28)34(56)57;1-17-9-23(3-5-27(17)44-42-25-13-19(29(47)48)11-20(14-25)30(49)50)37-34-39-33(36-7-8-46)40-35(41-34)38-24-4-6-28(18(2)10-24)45-43-26-15-21(31(51)52)12-22(16-26)32(53)54/h3-6,13-20,49,67-68,71-72H,7-12,21-22H2,1-2H3,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H2,50,53,55,56,58)(H3,51,52,54,57,59,60);3-6,11-18,48-49H,7-10H2,1-2H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H2,38,39,40,41,42);3-6,9-16,46H,7-8H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H3,36,37,38,39,40,41)/b63-61+,64-62+;45-43+,46-44+;44-42+,45-43+.

What are the key properties of 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid?

5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid has a molecular weight of 2614.45 g/mol, XLogP of 17.58, 58 rotatable bonds, 30 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[1-[2-[[4-[4-[[4-[2-[3-[(3,5-dicarboxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-[(hydroxymethylamino)methyl]-1,3,5-triazin-2-yl]amino]ethyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzene-1,3-dicarboxylic acid;5-[[4-[[4-[4-[(3,5-dicarboxyphenyl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 157188503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).