4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine

C26H22N5 — CID 18529456

IUPAC—
SMILESNc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N(c3ccccc3)[N]2)cc1
InChIInChI=1S/C26H22N5/c27-22-18-16-20(17-19-22)25-28-30(23-12-6-2-7-13-23)26(21-10-4-1-5-11-21)31(29-25)24-14-8-3-9-15-24/h1-19,26H,27H2
InChIKeyWARAGHYKKNQOBU-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.18
Rot. Bonds4

About 4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine

4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine (PubChem CID 18529456) has the molecular formula C26H22N5 and a molecular weight of 404.50 g/mol.

Molecular Properties

Compound Name4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine
PubChem CID18529456
Molecular FormulaC26H22N5
Molecular Weight404.50 g/mol
Exact Mass404.19
IUPAC Name—
SMILESNc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N(c3ccccc3)[N]2)cc1
InChIInChI=1S/C26H22N5/c27-22-18-16-20(17-19-22)25-28-30(23-12-6-2-7-13-23)26(21-10-4-1-5-11-21)31(29-25)24-14-8-3-9-15-24/h1-19,26H,27H2
InChIKeyWARAGHYKKNQOBU-UHFFFAOYSA-N
XLogP5.18
TPSA58.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine?
The IUPAC name of 4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine (CID 18529456) is not available.
What is the SMILES notation for 4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine?
The canonical SMILES for 4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine is Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N(c3ccccc3)[N]2)cc1.
What is the InChIKey of 4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine?
The InChIKey is WARAGHYKKNQOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N5/c27-22-18-16-20(17-19-22)25-28-30(23-12-6-2-7-13-23)26(21-10-4-1-5-11-21)31(29-25)24-14-8-3-9-15-24/h1-19,26H,27H2.
What are the key properties of 4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine?
4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine has a molecular weight of 404.50 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-triphenyl-1H,3H-1,2,4,5-tetraazin-6-yl)phenylamine is sourced from PubChem (CID 18529456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).