2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium)

C25H24N4O6Rf3 — CID 58059800

About 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium)

2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium) (PubChem CID 58059800) has the molecular formula C25H24N4O6Rf3 and a molecular weight of 1277.49 g/mol. Its IUPAC name is 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium).

Molecular Properties

• Compound Name: 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium)
• PubChem CID: 58059800
• Molecular Formula: C25H24N4O6Rf3
• Molecular Weight: 1277.49 g/mol
• Exact Mass: 1277.53
• IUPAC Name: 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium)
• SMILES: CCN(c1nc(Cc2cc(O)ccc2O)nc(Cc2cc(O)ccc2O)n1)c1cc(O)ccc1O.[Rf].[Rf].[Rf]
• InChI: InChI=1S/C25H24N4O6.3Rf/c1-2-29(19-13-18(32)5-8-22(19)35)25-27-23(11-14-9-16(30)3-6-20(14)33)26-24(28-25)12-15-10-17(31)4-7-21(15)34;;;/h3-10,13,30-35H,2,11-12H2,1H3
• InChIKey: ZNHTVNLECIKYLU-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 163.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.49
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium)?

The IUPAC name of 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium) (CID 58059800) is 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium).

What is the SMILES notation for 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium)?

The canonical SMILES for 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium) is CCN(c1nc(Cc2cc(O)ccc2O)nc(Cc2cc(O)ccc2O)n1)c1cc(O)ccc1O.[Rf].[Rf].[Rf].

What is the InChIKey of 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium)?

The InChIKey is ZNHTVNLECIKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6.3Rf/c1-2-29(19-13-18(32)5-8-22(19)35)25-27-23(11-14-9-16(30)3-6-20(14)33)26-24(28-25)12-15-10-17(31)4-7-21(15)34;;;/h3-10,13,30-35H,2,11-12H2,1H3;;;.

What are the key properties of 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium)?

2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium) has a molecular weight of 1277.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tris(rutherfordium) is sourced from PubChem (CID 58059800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).