2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)

C26H28N3O2Y2- — CID 157410810

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)
SMILESCC.CC.[CH2-]Oc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.[Y].[Y]
InChIInChI=1S/C22H16N3O2.2C2H6.2Y/c1-27-17-12-13-18(19(26)14-17)22-24-20(15-8-4-2-5-9-15)23-21(25-22)16-10-6-3-7-11-16;2*1-2;;/h2-14,26H,1H2;2*1-2H3;;/q-1;;;;
InChIKeyMMUJBEUQUDVNPO-UHFFFAOYSA-N
MW592.34 g/mol
LogP6.80
Rot. Bonds4

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium) (PubChem CID 157410810) has the molecular formula C26H28N3O2Y2- and a molecular weight of 592.34 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium).

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)
PubChem CID157410810
Molecular FormulaC26H28N3O2Y2-
Molecular Weight592.34 g/mol
Exact Mass592.03
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)
SMILESCC.CC.[CH2-]Oc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.[Y].[Y]
InChIInChI=1S/C22H16N3O2.2C2H6.2Y/c1-27-17-12-13-18(19(26)14-17)22-24-20(15-8-4-2-5-9-15)23-21(25-22)16-10-6-3-7-11-16;2*1-2;;/h2-14,26H,1H2;2*1-2H3;;/q-1;;;;
InChIKeyMMUJBEUQUDVNPO-UHFFFAOYSA-N
XLogP6.80
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.34
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 135621950
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
4-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 136632194
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]pentan-3-one
CID 165088688
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 135975715
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol
CID 136622044
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
CID 143193670

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium) (CID 157410810) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium).
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium) is CC.CC.[CH2-]Oc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.[Y].[Y].
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)?
The InChIKey is MMUJBEUQUDVNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N3O2.2C2H6.2Y/c1-27-17-12-13-18(19(26)14-17)22-24-20(15-8-4-2-5-9-15)23-21(25-22)16-10-6-3-7-11-16;2*1-2;;/h2-14,26H,1H2;2*1-2H3;;/q-1;;;;.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium) has a molecular weight of 592.34 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium) is sourced from PubChem (CID 157410810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).