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

C22H16FN3 — CID 138579162

IUPAC2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1c(F)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H16FN3/c1-15-18(13-8-14-19(15)23)22-25-20(16-9-4-2-5-10-16)24-21(26-22)17-11-6-3-7-12-17/h2-14H,1H3
InChIKeyOZTYQSPQVWYLDP-UHFFFAOYSA-N
MW341.39 g/mol
LogP5.32
Rot. Bonds3

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

2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 138579162) has the molecular formula C22H16FN3 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID138579162
Molecular FormulaC22H16FN3
Molecular Weight341.39 g/mol
Exact Mass341.13
IUPAC Name2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1c(F)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H16FN3/c1-15-18(13-8-14-19(15)23)22-25-20(16-9-4-2-5-10-16)24-21(26-22)17-11-6-3-7-12-17/h2-14H,1H3
InChIKeyOZTYQSPQVWYLDP-UHFFFAOYSA-N
XLogP5.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142560199
2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 177130492
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
CID 138569840
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
bis(2-chloro-4,6-diphenyl-1,3,5-triazine);bis((2-fluorophenyl)boronic acid);bis(2-(2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine)
CID 160609973
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 165007118
2-methyl-4-[2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 145017131
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 138579162) is 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine is Cc1c(F)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OZTYQSPQVWYLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3/c1-15-18(13-8-14-19(15)23)22-25-20(16-9-4-2-5-10-16)24-21(26-22)17-11-6-3-7-12-17/h2-14H,1H3.
What are the key properties of 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 341.39 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 138579162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).