2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol

C34H25N3O3 — CID 135621950

IUPAC2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
SMILESCc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)nc(-c3ccc(Oc4ccccc4)cc3)n2)c(O)c1
InChIInChI=1S/C34H25N3O3/c1-23-12-21-30(31(38)22-23)34-36-32(24-13-17-28(18-14-24)39-26-8-4-2-5-9-26)35-33(37-34)25-15-19-29(20-16-25)40-27-10-6-3-7-11-27/h2-22,38H,1H3
InChIKeySPGMIOMWFHZBKH-UHFFFAOYSA-N
MW523.59 g/mol
LogP8.47
Rot. Bonds7

About 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol

2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol (PubChem CID 135621950) has the molecular formula C34H25N3O3 and a molecular weight of 523.59 g/mol. Its IUPAC name is 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
PubChem CID135621950
Molecular FormulaC34H25N3O3
Molecular Weight523.59 g/mol
Exact Mass523.19
IUPAC Name2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
SMILESCc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)nc(-c3ccc(Oc4ccccc4)cc3)n2)c(O)c1
InChIInChI=1S/C34H25N3O3/c1-23-12-21-30(31(38)22-23)34-36-32(24-13-17-28(18-14-24)39-26-8-4-2-5-9-26)35-33(37-34)25-15-19-29(20-16-25)40-27-10-6-3-7-11-27/h2-22,38H,1H3
InChIKeySPGMIOMWFHZBKH-UHFFFAOYSA-N
XLogP8.47
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
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
2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 135611721
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)
CID 157410810
bis[2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] decanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] hexanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] octanedioate
CID 158563004
2-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol
CID 135581689
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol?
The IUPAC name of 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol (CID 135621950) is 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol.
What is the SMILES notation for 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol?
The canonical SMILES for 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol is Cc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)nc(-c3ccc(Oc4ccccc4)cc3)n2)c(O)c1.
What is the InChIKey of 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol?
The InChIKey is SPGMIOMWFHZBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3O3/c1-23-12-21-30(31(38)22-23)34-36-32(24-13-17-28(18-14-24)39-26-8-4-2-5-9-26)35-33(37-34)25-15-19-29(20-16-25)40-27-10-6-3-7-11-27/h2-22,38H,1H3.
What are the key properties of 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol?
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol has a molecular weight of 523.59 g/mol, XLogP of 8.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol is sourced from PubChem (CID 135621950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).