2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine

C46H36N6O6 — CID 169281032

IUPAC2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
SMILESCc1ccc(Oc2nc(Oc3ccc(C)cc3)nc(Oc3ccc(-c4ccc(Oc5nc(Oc6ccc(C)cc6)nc(Oc6ccc(C)cc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C46H36N6O6/c1-29-5-17-35(18-6-29)53-41-47-42(54-36-19-7-30(2)8-20-36)50-45(49-41)57-39-25-13-33(14-26-39)34-15-27-40(28-16-34)58-46-51-43(55-37-21-9-31(3)10-22-37)48-44(52-46)56-38-23-11-32(4)12-24-38/h5-28H,1-4H3
InChIKeyKEZWDWSQWPMWNO-UHFFFAOYSA-N
MW768.83 g/mol
LogP11.71
Rot. Bonds13

About 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine

2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine (PubChem CID 169281032) has the molecular formula C46H36N6O6 and a molecular weight of 768.83 g/mol. Its IUPAC name is 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
PubChem CID169281032
Molecular FormulaC46H36N6O6
Molecular Weight768.83 g/mol
Exact Mass768.27
IUPAC Name2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
SMILESCc1ccc(Oc2nc(Oc3ccc(C)cc3)nc(Oc3ccc(-c4ccc(Oc5nc(Oc6ccc(C)cc6)nc(Oc6ccc(C)cc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C46H36N6O6/c1-29-5-17-35(18-6-29)53-41-47-42(54-36-19-7-30(2)8-20-36)50-45(49-41)57-39-25-13-33(14-26-39)34-15-27-40(28-16-34)58-46-51-43(55-37-21-9-31(3)10-22-37)48-44(52-46)56-38-23-11-32(4)12-24-38/h5-28H,1-4H3
InChIKeyKEZWDWSQWPMWNO-UHFFFAOYSA-N
XLogP11.71
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.83
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine with MolForge

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Related Compounds

4,6-dichloro-2-(4-methylphenoxy)pyrimidine
CID 10800977
4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80862927
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
4,6-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]-N,N-bis(4-methylphenyl)-1,3,5-triazin-2-amine
CID 59533037
4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863450
[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80917593
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 144891551
4-methyl-2-(4-methylphenoxy)pyrimidine
CID 155309034
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
4-chloro-2-(4-methylphenoxy)pyrimidine
CID 22675087

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine (CID 169281032) is 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine is Cc1ccc(Oc2nc(Oc3ccc(C)cc3)nc(Oc3ccc(-c4ccc(Oc5nc(Oc6ccc(C)cc6)nc(Oc6ccc(C)cc6)n5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine?
The InChIKey is KEZWDWSQWPMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N6O6/c1-29-5-17-35(18-6-29)53-41-47-42(54-36-19-7-30(2)8-20-36)50-45(49-41)57-39-25-13-33(14-26-39)34-15-27-40(28-16-34)58-46-51-43(55-37-21-9-31(3)10-22-37)48-44(52-46)56-38-23-11-32(4)12-24-38/h5-28H,1-4H3.
What are the key properties of 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine?
2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine has a molecular weight of 768.83 g/mol, XLogP of 11.71, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 169281032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).