4-(4-phenylphenyl)pyrimidine

C16H12N2 — CID 817541

IUPAC4-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3ccncn3)cc2)cc1
InChIInChI=1S/C16H12N2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)16-10-11-17-12-18-16/h1-12H
InChIKeyQAHGDOUMCYILBM-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.81
Rot. Bonds2

About 4-(4-phenylphenyl)pyrimidine

4-(4-phenylphenyl)pyrimidine (PubChem CID 817541) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-phenylphenyl)pyrimidine
PubChem CID817541
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name4-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3ccncn3)cc2)cc1
InChIInChI=1S/C16H12N2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)16-10-11-17-12-18-16/h1-12H
InChIKeyQAHGDOUMCYILBM-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(4-phenylphenyl)pyrimidine (CID 817541) is 4-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3ccncn3)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)pyrimidine?
The InChIKey is QAHGDOUMCYILBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)16-10-11-17-12-18-16/h1-12H.
What are the key properties of 4-(4-phenylphenyl)pyrimidine?
4-(4-phenylphenyl)pyrimidine has a molecular weight of 232.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 817541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).