4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide

C180H218N38O26 — CID 159718042

About 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide

4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide (PubChem CID 159718042) has the molecular formula C180H218N38O26 and a molecular weight of 3329.96 g/mol. Its IUPAC name is 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide.

Molecular Properties

• Compound Name: 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide
• PubChem CID: 159718042
• Molecular Formula: C180H218N38O26
• Molecular Weight: 3329.96 g/mol
• Exact Mass: 3327.69
• IUPAC Name: 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide
• SMILES: CC(=O)CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCCC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1.CC(=O)CCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1.CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCCC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1.CCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1.Cc1ccc(C(=O)CCCOCCOCCNc2nc(Nc3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1.O=C(CCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1)Cc1ccccc1
• InChI: InChI=1S/C38H47N7O6.C36H45N7O5.2C30H34N6O4.C24H30N6O4.C22H28N6O3/c1-28(46)10-5-2-3-8-22-39-35(49)30-14-16-31(17-15-30)41-37-43-36(44-38(45-37)42-32-18-20-33(47)21-19-32)40-23-25-51-27-26-50-24-9-13-34(48)29-11-6-4-7-12-29;1-2-3-4-8-21-37-33(46)28-13-15-29(16-14-28)39-35-41-34(42-36(43-35)40-30-17-19-31(44)20-18-30)38-22-24-48-26-25-47-23-9-12-32(45)27-10-6-5-7-11-27;1-22-9-11-23(12-10-22)27(38)8-5-18-39-20-21-40-19-17-31-28-34-29(32-24-6-3-2-4-7-24)36-30(35-28)33-25-13-15-26(37)16-14-25;37-26-15-13-25(14-16-26)33-30-35-28(34-29(36-30)32-24-10-5-2-6-11-24)31-17-19-40-21-20-39-18-7-12-27(38)22-23-8-3-1-4-9-23;1-18(31)6-5-14-33-16-17-34-15-13-25-22-28-23(26-19-7-3-2-4-8-19)30-24(29-22)27-20-9-11-21(32)12-10-20;1-2-13-30-15-16-31-14-12-23-20-26-21(24-17-6-4-3-5-7-17)28-22(27-20)25-18-8-10-19(29)11-9-18/h4,6-7,11-12,14-21,47H,2-3,5,8-10,13,22-27H2,1H3,(H,39,49)(H3,40,41,42,43,44,45);5-7,10-11,13-20,44H,2-4,8-9,12,21-26H2,1H3,(H,37,46)(H3,38,39,40,41,42,43);2-4,6-7,9-16,37H,5,8,17-21H2,1H3,(H3,31,32,33,34,35,36);1-6,8-11,13-16,37H,7,12,17-22H2,(H3,31,32,33,34,35,36);2-4,7-12,32H,5-6,13-17H2,1H3,(H3,25,26,27,28,29,30);3-11,29H,2,12-16H2,1H3,(H3,23,24,25,26,27,28)
• InChIKey: MZRIDXVWEMNNIU-UHFFFAOYSA-N
• XLogP: 31.31
• TPSA: 841.32 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 62
• Rotatable Bonds: 107
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3329.96
LogP ≤ 5	31.31
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide?

The IUPAC name of 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide (CID 159718042) is 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide.

What is the SMILES notation for 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide?

The canonical SMILES for 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide is CC(=O)CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCCC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1.CC(=O)CCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1.CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCCC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1.CCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1.Cc1ccc(C(=O)CCCOCCOCCNc2nc(Nc3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1.O=C(CCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1)Cc1ccccc1.

What is the InChIKey of 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide?

The InChIKey is MZRIDXVWEMNNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N7O6.C36H45N7O5.2C30H34N6O4.C24H30N6O4.C22H28N6O3/c1-28(46)10-5-2-3-8-22-39-35(49)30-14-16-31(17-15-30)41-37-43-36(44-38(45-37)42-32-18-20-33(47)21-19-32)40-23-25-51-27-26-50-24-9-13-34(48)29-11-6-4-7-12-29;1-2-3-4-8-21-37-33(46)28-13-15-29(16-14-28)39-35-41-34(42-36(43-35)40-30-17-19-31(44)20-18-30)38-22-24-48-26-25-47-23-9-12-32(45)27-10-6-5-7-11-27;1-22-9-11-23(12-10-22)27(38)8-5-18-39-20-21-40-19-17-31-28-34-29(32-24-6-3-2-4-7-24)36-30(35-28)33-25-13-15-26(37)16-14-25;37-26-15-13-25(14-16-26)33-30-35-28(34-29(36-30)32-24-10-5-2-6-11-24)31-17-19-40-21-20-39-18-7-12-27(38)22-23-8-3-1-4-9-23;1-18(31)6-5-14-33-16-17-34-15-13-25-22-28-23(26-19-7-3-2-4-8-19)30-24(29-22)27-20-9-11-21(32)12-10-20;1-2-13-30-15-16-31-14-12-23-20-26-21(24-17-6-4-3-5-7-17)28-22(27-20)25-18-8-10-19(29)11-9-18/h4,6-7,11-12,14-21,47H,2-3,5,8-10,13,22-27H2,1H3,(H,39,49)(H3,40,41,42,43,44,45);5-7,10-11,13-20,44H,2-4,8-9,12,21-26H2,1H3,(H,37,46)(H3,38,39,40,41,42,43);2-4,6-7,9-16,37H,5,8,17-21H2,1H3,(H3,31,32,33,34,35,36);1-6,8-11,13-16,37H,7,12,17-22H2,(H3,31,32,33,34,35,36);2-4,7-12,32H,5-6,13-17H2,1H3,(H3,25,26,27,28,29,30);3-11,29H,2,12-16H2,1H3,(H3,23,24,25,26,27,28).

What are the key properties of 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide?

4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide has a molecular weight of 3329.96 g/mol, XLogP of 31.31, 107 rotatable bonds, 26 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-(4-methylphenyl)butan-1-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]pentan-2-one;5-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]-1-phenylpentan-2-one;4-[[4-anilino-6-[2-(2-propoxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenol;N-hexyl-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxo-4-phenylbutoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-(7-oxooctyl)benzamide is sourced from PubChem (CID 159718042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).