4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

C27H23N3 — CID 129263355

IUPAC4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C27H23N3/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-29-25(22-12-6-2-7-13-22)28-26(30-27)23-14-8-3-9-15-23/h1-19,25,27,29H,(H,28,30)
InChIKeyUSOQTZCEJJFHCN-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.69
Rot. Bonds4

About 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 129263355) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID129263355
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC Name4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C27H23N3/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-29-25(22-12-6-2-7-13-22)28-26(30-27)23-14-8-3-9-15-23/h1-19,25,27,29H,(H,28,30)
InChIKeyUSOQTZCEJJFHCN-UHFFFAOYSA-N
XLogP5.69
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine 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 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 129263355) is 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is USOQTZCEJJFHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-29-25(22-12-6-2-7-13-22)28-26(30-27)23-14-8-3-9-15-23/h1-19,25,27,29H,(H,28,30).
What are the key properties of 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 389.50 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 129263355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).