2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine

C27H18FN3 — CID 146415001

IUPAC2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H18FN3/c28-24-17-16-22(19-10-4-1-5-11-19)18-23(24)27-30-25(20-12-6-2-7-13-20)29-26(31-27)21-14-8-3-9-15-21/h1-18H
InChIKeyKEKAKEZJHVZBGK-UHFFFAOYSA-N
MW403.46 g/mol
LogP6.68
Rot. Bonds4

About 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine

2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 146415001) has the molecular formula C27H18FN3 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID146415001
Molecular FormulaC27H18FN3
Molecular Weight403.46 g/mol
Exact Mass403.15
IUPAC Name2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H18FN3/c28-24-17-16-22(19-10-4-1-5-11-19)18-23(24)27-30-25(20-12-6-2-7-13-20)29-26(31-27)21-14-8-3-9-15-21/h1-18H
InChIKeyKEKAKEZJHVZBGK-UHFFFAOYSA-N
XLogP6.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 142748845
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-(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-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 176849845
2-(4-bromo-2-fluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170658602
2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 139303881
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile
CID 134476233
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 175256430
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 146415001) is 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is KEKAKEZJHVZBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN3/c28-24-17-16-22(19-10-4-1-5-11-19)18-23(24)27-30-25(20-12-6-2-7-13-20)29-26(31-27)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 403.46 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146415001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).