2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine

C42H33N3O3 — CID 20652062

IUPAC2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
SMILESCOc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(OC)cc5)cc4)nc(-c4ccc(-c5ccc(OC)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C42H33N3O3/c1-46-37-22-16-31(17-23-37)28-4-10-34(11-5-28)40-43-41(35-12-6-29(7-13-35)32-18-24-38(47-2)25-19-32)45-42(44-40)36-14-8-30(9-15-36)33-20-26-39(48-3)27-21-33/h4-27H,1-3H3
InChIKeyZTLWUBASVGOWIK-UHFFFAOYSA-N
MW627.74 g/mol
LogP9.90
Rot. Bonds9

About 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine

2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine (PubChem CID 20652062) has the molecular formula C42H33N3O3 and a molecular weight of 627.74 g/mol. Its IUPAC name is 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
PubChem CID20652062
Molecular FormulaC42H33N3O3
Molecular Weight627.74 g/mol
Exact Mass627.25
IUPAC Name2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
SMILESCOc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(OC)cc5)cc4)nc(-c4ccc(-c5ccc(OC)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C42H33N3O3/c1-46-37-22-16-31(17-23-37)28-4-10-34(11-5-28)40-43-41(35-12-6-29(7-13-35)32-18-24-38(47-2)25-19-32)45-42(44-40)36-14-8-30(9-15-36)33-20-26-39(48-3)27-21-33/h4-27H,1-3H3
InChIKeyZTLWUBASVGOWIK-UHFFFAOYSA-N
XLogP9.90
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
CID 59439786
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
CID 171108749
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium
CID 148962655
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
4-(4-methoxyphenyl)pyridin-1-ium
CID 132526001

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine (CID 20652062) is 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine is COc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(OC)cc5)cc4)nc(-c4ccc(-c5ccc(OC)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine?
The InChIKey is ZTLWUBASVGOWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N3O3/c1-46-37-22-16-31(17-23-37)28-4-10-34(11-5-28)40-43-41(35-12-6-29(7-13-35)32-18-24-38(47-2)25-19-32)45-42(44-40)36-14-8-30(9-15-36)33-20-26-39(48-3)27-21-33/h4-27H,1-3H3.
What are the key properties of 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine?
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine has a molecular weight of 627.74 g/mol, XLogP of 9.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 20652062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).