4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol

C126H104N18O30 — CID 160593357

About 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol

4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 160593357) has the molecular formula C126H104N18O30 and a molecular weight of 2350.31 g/mol. Its IUPAC name is 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

• Compound Name: 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
• PubChem CID: 160593357
• Molecular Formula: C126H104N18O30
• Molecular Weight: 2350.31 g/mol
• Exact Mass: 2348.72
• IUPAC Name: 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
• SMILES: COc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)cc1.COc1ccc(-c2nc(-c3ccc(OCCO)cc3O)nc(-c3ccc(OCCO)cc3O)n2)cc1.Oc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1.Oc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(O)cc3O)n2)c(O)c1.Oc1ccc(-c2nc(CCCCCCc3nc(-c4ccc(O)cc4O)nc(-c4ccc(O)cc4O)n3)nc(-c3ccc(O)cc3O)n2)c(O)c1
• InChI: InChI=1S/C36H32N6O8.C26H25N3O7.C22H17N3O5.C21H15N3O6.C21H15N3O4/c43-19-7-11-23(27(47)15-19)33-37-31(38-34(41-33)24-12-8-20(44)16-28(24)48)5-3-1-2-4-6-32-39-35(25-13-9-21(45)17-29(25)49)42-36(40-32)26-14-10-22(46)18-30(26)50;1-34-17-4-2-16(3-5-17)24-27-25(20-8-6-18(14-22(20)32)35-12-10-30)29-26(28-24)21-9-7-19(15-23(21)33)36-13-11-31;1-30-15-6-2-12(3-7-15)20-23-21(16-8-4-13(26)10-18(16)28)25-22(24-20)17-9-5-14(27)11-19(17)29;25-10-1-4-13(16(28)7-10)19-22-20(14-5-2-11(26)8-17(14)29)24-21(23-19)15-6-3-12(27)9-18(15)30;25-13-6-8-15(17(27)10-13)20-22-19(12-4-2-1-3-5-12)23-21(24-20)16-9-7-14(26)11-18(16)28/h7-18,43-50H,1-6H2;2-9,14-15,30-33H,10-13H2,1H3;2-11,26-29H,1H3;1-9,25-30H;1-11,25-28H
• InChIKey: RDHVMJLKGHNYCN-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 794.92 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 48
• Rotatable Bonds: 31
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.31
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol?

The IUPAC name of 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol (CID 160593357) is 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol.

What is the SMILES notation for 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol?

The canonical SMILES for 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol is COc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)cc1.COc1ccc(-c2nc(-c3ccc(OCCO)cc3O)nc(-c3ccc(OCCO)cc3O)n2)cc1.Oc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1.Oc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(O)cc3O)n2)c(O)c1.Oc1ccc(-c2nc(CCCCCCc3nc(-c4ccc(O)cc4O)nc(-c4ccc(O)cc4O)n3)nc(-c3ccc(O)cc3O)n2)c(O)c1.

What is the InChIKey of 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol?

The InChIKey is RDHVMJLKGHNYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O8.C26H25N3O7.C22H17N3O5.C21H15N3O6.C21H15N3O4/c43-19-7-11-23(27(47)15-19)33-37-31(38-34(41-33)24-12-8-20(44)16-28(24)48)5-3-1-2-4-6-32-39-35(25-13-9-21(45)17-29(25)49)42-36(40-32)26-14-10-22(46)18-30(26)50;1-34-17-4-2-16(3-5-17)24-27-25(20-8-6-18(14-22(20)32)35-12-10-30)29-26(28-24)21-9-7-19(15-23(21)33)36-13-11-31;1-30-15-6-2-12(3-7-15)20-23-21(16-8-4-13(26)10-18(16)28)25-22(24-20)17-9-5-14(27)11-19(17)29;25-10-1-4-13(16(28)7-10)19-22-20(14-5-2-11(26)8-17(14)29)24-21(23-19)15-6-3-12(27)9-18(15)30;25-13-6-8-15(17(27)10-13)20-22-19(12-4-2-1-3-5-12)23-21(24-20)16-9-7-14(26)11-18(16)28/h7-18,43-50H,1-6H2;2-9,14-15,30-33H,10-13H2,1H3;2-11,26-29H,1H3;1-9,25-30H;1-11,25-28H.

What are the key properties of 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol?

4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 2350.31 g/mol, XLogP of 19.25, 31 rotatable bonds, 26 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 160593357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).