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

C40H37FN4 — CID 58261748

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(F)cc5)cc4)nc3)n2)cc1
InChIInChI=1S/C40H37FN4/c1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27/h7-25H,1-6H3
InChIKeyJVVXBUSDKCDRFZ-UHFFFAOYSA-N
MW592.76 g/mol
LogP10.34
Rot. Bonds5

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

2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine (PubChem CID 58261748) has the molecular formula C40H37FN4 and a molecular weight of 592.76 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine
PubChem CID58261748
Molecular FormulaC40H37FN4
Molecular Weight592.76 g/mol
Exact Mass592.30
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(F)cc5)cc4)nc3)n2)cc1
InChIInChI=1S/C40H37FN4/c1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27/h7-25H,1-6H3
InChIKeyJVVXBUSDKCDRFZ-UHFFFAOYSA-N
XLogP10.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.76
LogP ≤ 510.34
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-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine (CID 58261748) is 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(F)cc5)cc4)nc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine?
The InChIKey is JVVXBUSDKCDRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37FN4/c1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27/h7-25H,1-6H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine has a molecular weight of 592.76 g/mol, XLogP of 10.34, 5 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-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 58261748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).