2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol

C24H19N5O6 — CID 137167775

IUPAC2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3N=O)nc(-c3ccc(OC)cc3N=O)n2)c(O)c1
InChIInChI=1S/C24H19N5O6/c1-33-13-4-7-16(19(10-13)28-31)22-25-23(17-8-5-14(34-2)11-20(17)29-32)27-24(26-22)18-9-6-15(35-3)12-21(18)30/h4-12,30H,1-3H3
InChIKeyYOPSDTFFNXGRJZ-UHFFFAOYSA-N
MW473.45 g/mol
LogP5.40
Rot. Bonds8

About 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol

2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol (PubChem CID 137167775) has the molecular formula C24H19N5O6 and a molecular weight of 473.45 g/mol. Its IUPAC name is 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol
PubChem CID137167775
Molecular FormulaC24H19N5O6
Molecular Weight473.45 g/mol
Exact Mass473.13
IUPAC Name2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3N=O)nc(-c3ccc(OC)cc3N=O)n2)c(O)c1
InChIInChI=1S/C24H19N5O6/c1-33-13-4-7-16(19(10-13)28-31)22-25-23(17-8-5-14(34-2)11-20(17)29-32)27-24(26-22)18-9-6-15(35-3)12-21(18)30/h4-12,30H,1-3H3
InChIKeyYOPSDTFFNXGRJZ-UHFFFAOYSA-N
XLogP5.40
TPSA145.45 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500473.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
2-[4,6-bis(2,3,4,5,6-pentamethylphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 136630201
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 135988448
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane;methane
CID 159882082
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
5-methoxy-2-(1,3,5-triazin-2-yl)phenol
CID 142648649
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
methyl 2-[3-hydroxy-4-[4-[2-hydroxy-4-(1-methoxy-1-oxobutan-2-yl)oxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]butanoate
CID 169156362
2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
CID 20730822
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
methyl 2-[4-[4,6-bis[2-hydroxy-4-(1-methoxy-1-oxopropan-2-yl)oxyphenyl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;methyl 2-[4-[4-[2,4-bis[(1-methoxy-1-oxopropan-2-yl)oxy]phenyl]-6-[2-hydroxy-4-(1-methoxy-1-oxopropan-2-yl)oxyphenyl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 158940080

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol?
The IUPAC name of 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol (CID 137167775) is 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol?
The canonical SMILES for 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol is COc1ccc(-c2nc(-c3ccc(OC)cc3N=O)nc(-c3ccc(OC)cc3N=O)n2)c(O)c1.
What is the InChIKey of 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol?
The InChIKey is YOPSDTFFNXGRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O6/c1-33-13-4-7-16(19(10-13)28-31)22-25-23(17-8-5-14(34-2)11-20(17)29-32)27-24(26-22)18-9-6-15(35-3)12-21(18)30/h4-12,30H,1-3H3.
What are the key properties of 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol?
2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol has a molecular weight of 473.45 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol is sourced from PubChem (CID 137167775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).