2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine

C28H20FN3 — CID 138549634

IUPAC2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(F)cc1
InChIInChI=1S/C28H20FN3/c1-19-12-13-23(18-25(19)20-14-16-24(29)17-15-20)28-31-26(21-8-4-2-5-9-21)30-27(32-28)22-10-6-3-7-11-22/h2-18H,1H3
InChIKeyTVIRJURFVVJTPW-UHFFFAOYSA-N
MW417.49 g/mol
LogP6.99
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 138549634) has the molecular formula C28H20FN3 and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID138549634
Molecular FormulaC28H20FN3
Molecular Weight417.49 g/mol
Exact Mass417.16
IUPAC Name2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(F)cc1
InChIInChI=1S/C28H20FN3/c1-19-12-13-23(18-25(19)20-14-16-24(29)17-15-20)28-31-26(21-8-4-2-5-9-21)30-27(32-28)22-10-6-3-7-11-22/h2-18H,1H3
InChIKeyTVIRJURFVVJTPW-UHFFFAOYSA-N
XLogP6.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 123624299
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-fluorophenyl)-1,3,5-triazine
CID 176842919
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 142748845
2,4-bis(4-fluorophenyl)-6-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(7-phenylnaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 160510215
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842898
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
CID 138569840
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine (CID 138549634) is 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is TVIRJURFVVJTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3/c1-19-12-13-23(18-25(19)20-14-16-24(29)17-15-20)28-31-26(21-8-4-2-5-9-21)30-27(32-28)22-10-6-3-7-11-22/h2-18H,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 417.49 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 138549634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).