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

C25H22N5O6Rf3-3 — CID 58059788

IUPAC3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)
SMILES[CH2-]Oc1cc(O)cc(Cc2nc(Nc3cc(O)cc(O[CH2-])c3)nc(Nc3cc(O)cc(O[CH2-])c3)n2)c1.[Rf].[Rf].[Rf]
InChIInChI=1S/C25H22N5O6.3Rf/c1-34-20-5-14(4-17(31)11-20)6-23-28-24(26-15-7-18(32)12-21(9-15)35-2)30-25(29-23)27-16-8-19(33)13-22(10-16)36-3;;;/h4-5,7-13,31-33H,1-3,6H2,(H2,26,27,28,29,30);;;/q-3;;;
InChIKeyOVHGLAOYOUXIEA-UHFFFAOYSA-N
MW1289.48 g/mol
LogP4.58
Rot. Bonds9

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

3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium) (PubChem CID 58059788) has the molecular formula C25H22N5O6Rf3-3 and a molecular weight of 1289.48 g/mol. Its IUPAC name is 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium).

Molecular Properties

Compound Name3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)
PubChem CID58059788
Molecular FormulaC25H22N5O6Rf3-3
Molecular Weight1289.48 g/mol
Exact Mass1289.52
IUPAC Name3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)
SMILES[CH2-]Oc1cc(O)cc(Cc2nc(Nc3cc(O)cc(O[CH2-])c3)nc(Nc3cc(O)cc(O[CH2-])c3)n2)c1.[Rf].[Rf].[Rf]
InChIInChI=1S/C25H22N5O6.3Rf/c1-34-20-5-14(4-17(31)11-20)6-23-28-24(26-15-7-18(32)12-21(9-15)35-2)30-25(29-23)27-16-8-19(33)13-22(10-16)36-3;;;/h4-5,7-13,31-33H,1-3,6H2,(H2,26,27,28,29,30);;;/q-3;;;
InChIKeyOVHGLAOYOUXIEA-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'}

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

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Related Compounds

7-[[4-Amino-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one
CID 171344189
Benzonitrile, 4-((4-amino-6-((3,5-dimethoxyphenyl)methyl)-1,3,5-triazin-2-yl)amino)-
CID 505437
4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 134997344
4-methoxy-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 117093506
N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine
CID 23536439
[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(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)
CID 58059748
2-[[4,6-Bis(2-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)
CID 58059758
5-[[4,6-Bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)
CID 58059772
4-[[4,6-Bis(4-hydroxy-3-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)
CID 58059809
4-[4-(4-Methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)
CID 58059829

Frequently Asked Questions

What is the IUPAC name of 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)?
The IUPAC name of 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium) (CID 58059788) is 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium).
What is the SMILES notation for 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)?
The canonical SMILES for 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium) is [CH2-]Oc1cc(O)cc(Cc2nc(Nc3cc(O)cc(O[CH2-])c3)nc(Nc3cc(O)cc(O[CH2-])c3)n2)c1.[Rf].[Rf].[Rf].
What is the InChIKey of 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)?
The InChIKey is OVHGLAOYOUXIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N5O6.3Rf/c1-34-20-5-14(4-17(31)11-20)6-23-28-24(26-15-7-18(32)12-21(9-15)35-2)30-25(29-23)27-16-8-19(33)13-22(10-16)36-3;;;/h4-5,7-13,31-33H,1-3,6H2,(H2,26,27,28,29,30);;;/q-3;;;.
What are the key properties of 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)?
3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-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 3-[[4,6-bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium) is sourced from PubChem (CID 58059788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).