4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline

C21H17N5 — CID 630896

IUPAC4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C21H17N5/c22-17-10-6-15(7-11-17)20-24-19(14-4-2-1-3-5-14)25-21(26-20)16-8-12-18(23)13-9-16/h1-13H,22-23H2
InChIKeyHCGJVSGMPAFRAO-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.04
Rot. Bonds3

About 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline

4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline (PubChem CID 630896) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline
PubChem CID630896
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C21H17N5/c22-17-10-6-15(7-11-17)20-24-19(14-4-2-1-3-5-14)25-21(26-20)16-8-12-18(23)13-9-16/h1-13H,22-23H2
InChIKeyHCGJVSGMPAFRAO-UHFFFAOYSA-N
XLogP4.04
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline (CID 630896) is 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline is Nc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline?
The InChIKey is HCGJVSGMPAFRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c22-17-10-6-15(7-11-17)20-24-19(14-4-2-1-3-5-14)25-21(26-20)16-8-12-18(23)13-9-16/h1-13H,22-23H2.
What are the key properties of 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline?
4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline has a molecular weight of 339.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)-6-phenyl-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 630896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).