4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine

C21H16N4 — CID 163959365

IUPAC4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C21H16N4/c22-21-24-14-23-20(25-21)19-12-17(15-7-3-1-4-8-15)11-18(13-19)16-9-5-2-6-10-16/h1-14H,(H2,22,23,24,25)
InChIKeySGEFJNFLAGCJIH-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.45
Rot. Bonds3

About 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine

4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 163959365) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine
PubChem CID163959365
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C21H16N4/c22-21-24-14-23-20(25-21)19-12-17(15-7-3-1-4-8-15)11-18(13-19)16-9-5-2-6-10-16/h1-14H,(H2,22,23,24,25)
InChIKeySGEFJNFLAGCJIH-UHFFFAOYSA-N
XLogP4.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine (CID 163959365) is 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine is Nc1ncnc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.
What is the InChIKey of 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is SGEFJNFLAGCJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c22-21-24-14-23-20(25-21)19-12-17(15-7-3-1-4-8-15)11-18(13-19)16-9-5-2-6-10-16/h1-14H,(H2,22,23,24,25).
What are the key properties of 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine?
4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 324.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 163959365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).