N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C37H26F6N4 — CID 23527911

IUPACN-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)nc(-c4ccc(C(F)(F)F)cc4)n3)cc2)cc1
InChIInChI=1S/C37H26F6N4/c1-23-3-17-30(18-4-23)47(31-19-5-24(2)6-20-31)32-21-11-27(12-22-32)35-45-33(25-7-13-28(14-8-25)36(38,39)40)44-34(46-35)26-9-15-29(16-10-26)37(41,42)43/h3-22H,1-2H3
InChIKeyRKXZJYNBDMDSSR-UHFFFAOYSA-N
MW640.63 g/mol
LogP11.00
Rot. Bonds6

About N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 23527911) has the molecular formula C37H26F6N4 and a molecular weight of 640.63 g/mol. Its IUPAC name is N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID23527911
Molecular FormulaC37H26F6N4
Molecular Weight640.63 g/mol
Exact Mass640.21
IUPAC NameN-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)nc(-c4ccc(C(F)(F)F)cc4)n3)cc2)cc1
InChIInChI=1S/C37H26F6N4/c1-23-3-17-30(18-4-23)47(31-19-5-24(2)6-20-31)32-21-11-27(12-22-32)35-45-33(25-7-13-28(14-8-25)36(38,39)40)44-34(46-35)26-9-15-29(16-10-26)37(41,42)43/h3-22H,1-2H3
InChIKeyRKXZJYNBDMDSSR-UHFFFAOYSA-N
XLogP11.00
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.63
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Tris(4-aminophenyl)-1,3,5-triazine
CID 1515256
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dimethyl-9,10-dihydroacridine
CID 118528399
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
CID 16378623
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
4-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N,N-dimethylaniline
CID 4594014
N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
CID 89727494
4-(4,6-difluoro-1,3,5-triazin-2-yl)-N,N-dimethylaniline
CID 24976654
4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 102416899
2-Fluoro-4-heptafluoroisopropyl-6-(4-dimethylaminophenyl)-1,3,5-triazine
CID 129862209
N-[4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 139251198
N,4,6-triphenyl-1,3,5-triazin-2-amine
CID 35245
2-(4,6-diphenyl-1,3,5-triazine-2-yl)-N,N-di-p-tolylaniline
CID 132992977

Frequently Asked Questions

What is the IUPAC name of N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 23527911) is N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)nc(-c4ccc(C(F)(F)F)cc4)n3)cc2)cc1.
What is the InChIKey of N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is RKXZJYNBDMDSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F6N4/c1-23-3-17-30(18-4-23)47(31-19-5-24(2)6-20-31)32-21-11-27(12-22-32)35-45-33(25-7-13-28(14-8-25)36(38,39)40)44-34(46-35)26-9-15-29(16-10-26)37(41,42)43/h3-22H,1-2H3.
What are the key properties of N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 640.63 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 23527911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).