2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine

C34H33FN4 — CID 58261753

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(F)cc4)nc3)n2)cc1
InChIInChI=1S/C34H33FN4/c1-33(2,3)26-14-7-23(8-15-26)30-37-31(24-9-16-27(17-10-24)34(4,5)6)39-32(38-30)25-13-20-29(36-21-25)22-11-18-28(35)19-12-22/h7-21H,1-6H3
InChIKeyWFTRTBJEHLWQKE-UHFFFAOYSA-N
MW516.66 g/mol
LogP8.67
Rot. Bonds4

About 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine

2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 58261753) has the molecular formula C34H33FN4 and a molecular weight of 516.66 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine
PubChem CID58261753
Molecular FormulaC34H33FN4
Molecular Weight516.66 g/mol
Exact Mass516.27
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(F)cc4)nc3)n2)cc1
InChIInChI=1S/C34H33FN4/c1-33(2,3)26-14-7-23(8-15-26)30-37-31(24-9-16-27(17-10-24)34(4,5)6)39-32(38-30)25-13-20-29(36-21-25)22-11-18-28(35)19-12-22/h7-21H,1-6H3
InChIKeyWFTRTBJEHLWQKE-UHFFFAOYSA-N
XLogP8.67
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.66
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine (CID 58261753) is 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(F)cc4)nc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is WFTRTBJEHLWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN4/c1-33(2,3)26-14-7-23(8-15-26)30-37-31(24-9-16-27(17-10-24)34(4,5)6)39-32(38-30)25-13-20-29(36-21-25)22-11-18-28(35)19-12-22/h7-21H,1-6H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 516.66 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 58261753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).