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

C33H24N4 — CID 10205835

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C33H24N4/c1-5-13-25(14-6-1)31-34-32(26-15-7-2-8-16-26)36-33(35-31)27-21-23-30(24-22-27)37(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H
InChIKeySSTXLHRIIOMGDH-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.34
Rot. Bonds6

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

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (PubChem CID 10205835) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
PubChem CID10205835
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C33H24N4/c1-5-13-25(14-6-1)31-34-32(26-15-7-2-8-16-26)36-33(35-31)27-21-23-30(24-22-27)37(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H
InChIKeySSTXLHRIIOMGDH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (CID 10205835) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The InChIKey is SSTXLHRIIOMGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4/c1-5-13-25(14-6-1)31-34-32(26-15-7-2-8-16-26)36-33(35-31)27-21-23-30(24-22-27)37(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
4-(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 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 10205835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).