4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline

C34H26N4 — CID 23527768

IUPAC4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H26N4/c1-5-13-27(14-6-1)33-35-32(36-34(37-33)28-15-7-2-8-16-28)25-26-21-23-31(24-22-26)38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25H2
InChIKeyJFXYLCMBHIETHI-UHFFFAOYSA-N
MW490.61 g/mol
LogP8.27
Rot. Bonds7

About 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline

4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline (PubChem CID 23527768) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline
PubChem CID23527768
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H26N4/c1-5-13-27(14-6-1)33-35-32(36-34(37-33)28-15-7-2-8-16-28)25-26-21-23-31(24-22-26)38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25H2
InChIKeyJFXYLCMBHIETHI-UHFFFAOYSA-N
XLogP8.27
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

{4-[6-(4-Aminophenyl)-2-phenylpyrimidin-4-yl]phenyl}amine
CID 630861
3-[6-(4-Aminophenyl)-2-phenyl-4-pyrimidinyl]aniline
CID 630816
2,4,6-Tris(4-aminophenyl)-1,3,5-triazine
CID 1515256
9-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 23527810
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
Benzenamine, 4,4'-((6-phenyl-2,4-pyrimidinediyl)bis-
CID 630837
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-10H-spiro(acridine-9,9'-fluorene)
CID 132099800
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
CID 89727494
4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline
CID 1381395
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline (CID 23527768) is 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline is c1ccc(-c2nc(Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline?
The InChIKey is JFXYLCMBHIETHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4/c1-5-13-27(14-6-1)33-35-32(36-34(37-33)28-15-7-2-8-16-28)25-26-21-23-31(24-22-26)38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25H2.
What are the key properties of 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline?
4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline has a molecular weight of 490.61 g/mol, XLogP of 8.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-N,N-diphenylaniline is sourced from PubChem (CID 23527768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).