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

C31H25N3O2 — CID 59439786

IUPAC2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
SMILESC=Cc1ccc(-c2ccc(-c3nc(-c4ccc(OC)cc4)nc(-c4ccc(OC)cc4)n3)cc2)cc1
InChIInChI=1S/C31H25N3O2/c1-4-21-5-7-22(8-6-21)23-9-11-24(12-10-23)29-32-30(25-13-17-27(35-2)18-14-25)34-31(33-29)26-15-19-28(36-3)20-16-26/h4-20H,1H2,2-3H3
InChIKeyCSPJZQHZYCRZLS-UHFFFAOYSA-N
MW471.56 g/mol
LogP7.20
Rot. Bonds7

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

2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine (PubChem CID 59439786) has the molecular formula C31H25N3O2 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
PubChem CID59439786
Molecular FormulaC31H25N3O2
Molecular Weight471.56 g/mol
Exact Mass471.19
IUPAC Name2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
SMILESC=Cc1ccc(-c2ccc(-c3nc(-c4ccc(OC)cc4)nc(-c4ccc(OC)cc4)n3)cc2)cc1
InChIInChI=1S/C31H25N3O2/c1-4-21-5-7-22(8-6-21)23-9-11-24(12-10-23)29-32-30(25-13-17-27(35-2)18-14-25)34-31(33-29)26-15-19-28(36-3)20-16-26/h4-20H,1H2,2-3H3
InChIKeyCSPJZQHZYCRZLS-UHFFFAOYSA-N
XLogP7.20
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158211883
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
1-ethenyl-4-methoxybenzene;triazine
CID 174412273
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
CID 21495831
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine;2-(4-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158510464
[4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene
CID 101054146
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
CID 139092302
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine (CID 59439786) is 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine is C=Cc1ccc(-c2ccc(-c3nc(-c4ccc(OC)cc4)nc(-c4ccc(OC)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine?
The InChIKey is CSPJZQHZYCRZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O2/c1-4-21-5-7-22(8-6-21)23-9-11-24(12-10-23)29-32-30(25-13-17-27(35-2)18-14-25)34-31(33-29)26-15-19-28(36-3)20-16-26/h4-20H,1H2,2-3H3.
What are the key properties of 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine?
2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine has a molecular weight of 471.56 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine is sourced from PubChem (CID 59439786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).