2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C27H17F2N3 — CID 142748845

IUPAC2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESFc1ccc(F)c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C27H17F2N3/c28-22-15-16-24(29)23(17-22)27-31-25(20-9-5-2-6-10-20)30-26(32-27)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17H
InChIKeyYDCSQKXWHIJJNP-UHFFFAOYSA-N
MW421.45 g/mol
LogP6.82
Rot. Bonds4

About 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 142748845) has the molecular formula C27H17F2N3 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID142748845
Molecular FormulaC27H17F2N3
Molecular Weight421.45 g/mol
Exact Mass421.14
IUPAC Name2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESFc1ccc(F)c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C27H17F2N3/c28-22-15-16-24(29)23(17-22)27-31-25(20-9-5-2-6-10-20)30-26(32-27)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17H
InChIKeyYDCSQKXWHIJJNP-UHFFFAOYSA-N
XLogP6.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
2-[5-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]phenyl]phenyl]-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 154967458
2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
CID 138569840
2-(4-bromo-2-fluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170658602
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile
CID 134476233
2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 176849845
2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 139303881
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142577059
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 142748845) is 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Fc1ccc(F)c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is YDCSQKXWHIJJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F2N3/c28-22-15-16-24(29)23(17-22)27-31-25(20-9-5-2-6-10-20)30-26(32-27)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17H.
What are the key properties of 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 421.45 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 142748845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).