2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine

C25H21F2N3 — CID 175308054

IUPAC2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine
SMILESCc1cc(-c2ccc(-c3ncncn3)c(-c3cc(C)c(F)c(C)c3)c2)cc(C)c1F
InChIInChI=1S/C25H21F2N3/c1-14-7-19(8-15(2)23(14)26)18-5-6-21(25-29-12-28-13-30-25)22(11-18)20-9-16(3)24(27)17(4)10-20/h5-13H,1-4H3
InChIKeyROQMTEGFKPHUKF-UHFFFAOYSA-N
MW401.46 g/mol
LogP6.38
Rot. Bonds3

About 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine

2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine (PubChem CID 175308054) has the molecular formula C25H21F2N3 and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine
PubChem CID175308054
Molecular FormulaC25H21F2N3
Molecular Weight401.46 g/mol
Exact Mass401.17
IUPAC Name2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine
SMILESCc1cc(-c2ccc(-c3ncncn3)c(-c3cc(C)c(F)c(C)c3)c2)cc(C)c1F
InChIInChI=1S/C25H21F2N3/c1-14-7-19(8-15(2)23(14)26)18-5-6-21(25-29-12-28-13-30-25)22(11-18)20-9-16(3)24(27)17(4)10-20/h5-13H,1-4H3
InChIKeyROQMTEGFKPHUKF-UHFFFAOYSA-N
XLogP6.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4-trifluorophenyl)-1,3,5-triazine
CID 175245478
2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene
CID 59133253
5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
CID 54136106
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methylpyrimidine
CID 71024195
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
2-(4-fluoro-3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 174842436
2-(2,4-dihexoxyphenyl)-1,3,5-triazine
CID 140984968
2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine
CID 121287228
2-[3-[2-[2-[3,5-bis(1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]-5-(1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 118516424
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
CID 59552735

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine (CID 175308054) is 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine is Cc1cc(-c2ccc(-c3ncncn3)c(-c3cc(C)c(F)c(C)c3)c2)cc(C)c1F.
What is the InChIKey of 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is ROQMTEGFKPHUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3/c1-14-7-19(8-15(2)23(14)26)18-5-6-21(25-29-12-28-13-30-25)22(11-18)20-9-16(3)24(27)17(4)10-20/h5-13H,1-4H3.
What are the key properties of 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine?
2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 401.46 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 175308054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).