2,4,6-triphenyl-2H-1,3,5-triazin-1-amine

C21H18N4 — CID 151330354

IUPAC2,4,6-triphenyl-2H-1,3,5-triazin-1-amine
SMILESNN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C21H18N4/c22-25-20(17-12-6-2-7-13-17)23-19(16-10-4-1-5-11-16)24-21(25)18-14-8-3-9-15-18/h1-15,20H,22H2
InChIKeyOIICVRFOELCMRL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.77
Rot. Bonds3

About 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine

2,4,6-triphenyl-2H-1,3,5-triazin-1-amine (PubChem CID 151330354) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine.

Molecular Properties

Compound Name2,4,6-triphenyl-2H-1,3,5-triazin-1-amine
PubChem CID151330354
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name2,4,6-triphenyl-2H-1,3,5-triazin-1-amine
SMILESNN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C21H18N4/c22-25-20(17-12-6-2-7-13-17)23-19(16-10-4-1-5-11-16)24-21(25)18-14-8-3-9-15-18/h1-15,20H,22H2
InChIKeyOIICVRFOELCMRL-UHFFFAOYSA-N
XLogP3.77
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine?
The IUPAC name of 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine (CID 151330354) is 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine.
What is the SMILES notation for 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine?
The canonical SMILES for 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine is NN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine?
The InChIKey is OIICVRFOELCMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c22-25-20(17-12-6-2-7-13-17)23-19(16-10-4-1-5-11-16)24-21(25)18-14-8-3-9-15-18/h1-15,20H,22H2.
What are the key properties of 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine?
2,4,6-triphenyl-2H-1,3,5-triazin-1-amine has a molecular weight of 326.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-2H-1,3,5-triazin-1-amine is sourced from PubChem (CID 151330354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).