2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine

C31H33N3 — CID 59439795

IUPAC2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine
SMILESC=Cc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C31H33N3/c1-8-21-9-11-22(12-10-21)27-32-28(23-13-17-25(18-14-23)30(2,3)4)34-29(33-27)24-15-19-26(20-16-24)31(5,6)7/h8-20H,1H2,2-7H3
InChIKeyKROJQTQKPYAXHF-UHFFFAOYSA-N
MW447.63 g/mol
LogP8.11
Rot. Bonds4

About 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine

2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine (PubChem CID 59439795) has the molecular formula C31H33N3 and a molecular weight of 447.63 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine
PubChem CID59439795
Molecular FormulaC31H33N3
Molecular Weight447.63 g/mol
Exact Mass447.27
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine
SMILESC=Cc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C31H33N3/c1-8-21-9-11-22(12-10-21)27-32-28(23-13-17-25(18-14-23)30(2,3)4)34-29(33-27)24-15-19-26(20-16-24)31(5,6)7/h8-20H,1H2,2-7H3
InChIKeyKROJQTQKPYAXHF-UHFFFAOYSA-N
XLogP8.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.63
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine (CID 59439795) is 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine is C=Cc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine?
The InChIKey is KROJQTQKPYAXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3/c1-8-21-9-11-22(12-10-21)27-32-28(23-13-17-25(18-14-23)30(2,3)4)34-29(33-27)24-15-19-26(20-16-24)31(5,6)7/h8-20H,1H2,2-7H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine has a molecular weight of 447.63 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 59439795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).