2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol

C22H18N4O2 — CID 136603035

IUPAC2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
SMILESCOc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C22H18N4O2/c1-28-17-12-13-18(19(27)14-17)21-24-20(15-8-4-2-5-9-15)25-22(26-21)23-16-10-6-3-7-11-16/h2-14,27H,1H3,(H,23,24,25,26)
InChIKeyPNSDPCPTYRYNIL-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol

2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol (PubChem CID 136603035) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
PubChem CID136603035
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
SMILESCOc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C22H18N4O2/c1-28-17-12-13-18(19(27)14-17)21-24-20(15-8-4-2-5-9-15)25-22(26-21)23-16-10-6-3-7-11-16/h2-14,27H,1H3,(H,23,24,25,26)
InChIKeyPNSDPCPTYRYNIL-UHFFFAOYSA-N
XLogP4.66
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 159906215
2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 135611721
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)
CID 157410810
2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-6-methoxyphenol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-6-methylphenol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;5-methoxy-2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-(2-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 159572582
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 135621950
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
4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[4,6-bis(2-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 162105145
4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
CID 143193670
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol?
The IUPAC name of 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol (CID 136603035) is 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol.
What is the SMILES notation for 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol?
The canonical SMILES for 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol is COc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)n2)c(O)c1.
What is the InChIKey of 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol?
The InChIKey is PNSDPCPTYRYNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-17-12-13-18(19(27)14-17)21-24-20(15-8-4-2-5-9-15)25-22(26-21)23-16-10-6-3-7-11-16/h2-14,27H,1H3,(H,23,24,25,26).
What are the key properties of 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol?
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol has a molecular weight of 370.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol is sourced from PubChem (CID 136603035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).