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

C33H24N4 — CID 132993147

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3N(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C33H24N4/c1-5-15-25(16-6-1)31-34-32(26-17-7-2-8-18-26)36-33(35-31)29-23-13-14-24-30(29)37(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H
InChIKeySHKLUQNTBSTSLO-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.34
Rot. Bonds6

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

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (PubChem CID 132993147) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
PubChem CID132993147
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3N(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C33H24N4/c1-5-15-25(16-6-1)31-34-32(26-17-7-2-8-18-26)36-33(35-31)29-23-13-14-24-30(29)37(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H
InChIKeySHKLUQNTBSTSLO-UHFFFAOYSA-N
XLogP8.34
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 170929735
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,6-triphenylbenzo[k]phenanthridin-4-amine
CID 171054725
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170095547
N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 134472395
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 154968615
N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727217
2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 130327493
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (CID 132993147) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3N(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The InChIKey is SHKLUQNTBSTSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4/c1-5-15-25(16-6-1)31-34-32(26-17-7-2-8-18-26)36-33(35-31)29-23-13-14-24-30(29)37(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline has a molecular weight of 476.58 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 132993147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).