2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)

C25H22N5O6Rf3-3 — CID 58059748

IUPAC2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)
SMILES[CH2-]Oc1ccc(O)c(Cc2nc(Nc3cc(O[CH2-])ccc3O)nc(Nc3cc(O[CH2-])ccc3O)n2)c1.[Rf].[Rf].[Rf]
InChIInChI=1S/C25H22N5O6.3Rf/c1-34-15-4-7-20(31)14(10-15)11-23-28-24(26-18-12-16(35-2)5-8-21(18)32)30-25(29-23)27-19-13-17(36-3)6-9-22(19)33;;;/h4-10,12-13,31-33H,1-3,11H2,(H2,26,27,28,29,30);;;/q-3;;;
InChIKeySTQYZSBYOQEWTB-UHFFFAOYSA-N
MW1289.48 g/mol
LogP4.58
Rot. Bonds9

About 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)

2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium) (PubChem CID 58059748) has the molecular formula C25H22N5O6Rf3-3 and a molecular weight of 1289.48 g/mol. Its IUPAC name is 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium).

Molecular Properties

Compound Name2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)
PubChem CID58059748
Molecular FormulaC25H22N5O6Rf3-3
Molecular Weight1289.48 g/mol
Exact Mass1289.52
IUPAC Name2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)
SMILES[CH2-]Oc1ccc(O)c(Cc2nc(Nc3cc(O[CH2-])ccc3O)nc(Nc3cc(O[CH2-])ccc3O)n2)c1.[Rf].[Rf].[Rf]
InChIInChI=1S/C25H22N5O6.3Rf/c1-34-15-4-7-20(31)14(10-15)11-23-28-24(26-18-12-16(35-2)5-8-21(18)32)30-25(29-23)27-19-13-17(36-3)6-9-22(19)33;;;/h4-10,12-13,31-33H,1-3,11H2,(H2,26,27,28,29,30);;;/q-3;;;
InChIKeySTQYZSBYOQEWTB-UHFFFAOYSA-N
XLogP4.58
TPSA151.11 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.48
LogP ≤ 54.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)
CID 160725269
4-[[4-Amino-6-[(2,5-dimethoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505431
2-N,4-N,6-N-tris(2,5-dimethoxy-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 18737106
[4-[[4-[(3,4-Dimethoxyphenyl)methyl]-6-[3-(hydroxymethyl)-4-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-methoxyphenyl]methanol
CID 58029206
3-[[4,6-Bis(5-hydroxy-2-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)
CID 58059730
2-[[4,6-Bis[4-(dimethanidylamino)-2-hydroxyanilino]-1,3,5-triazin-2-yl]methyl]-5-(dimethanidylamino)phenol;hexakis(rutherfordium)
CID 58059740
2-[[4-(Dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)
CID 58059746
2-[[4,6-Bis(2-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)
CID 58059758
4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)
CID 58059762
5-[[4,6-Bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)
CID 58059772
3-[[4,6-Bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)
CID 58059788
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)?
The IUPAC name of 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium) (CID 58059748) is 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium).
What is the SMILES notation for 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)?
The canonical SMILES for 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium) is [CH2-]Oc1ccc(O)c(Cc2nc(Nc3cc(O[CH2-])ccc3O)nc(Nc3cc(O[CH2-])ccc3O)n2)c1.[Rf].[Rf].[Rf].
What is the InChIKey of 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)?
The InChIKey is STQYZSBYOQEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N5O6.3Rf/c1-34-15-4-7-20(31)14(10-15)11-23-28-24(26-18-12-16(35-2)5-8-21(18)32)30-25(29-23)27-19-13-17(36-3)6-9-22(19)33;;;/h4-10,12-13,31-33H,1-3,11H2,(H2,26,27,28,29,30);;;/q-3;;;.
What are the key properties of 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)?
2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium) has a molecular weight of 1289.48 g/mol, XLogP of 4.58, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium) is sourced from PubChem (CID 58059748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).