4-(3,5-diphenylphenyl)-2-methylpyrimidine

C23H18N2 — CID 129265272

IUPAC4-(3,5-diphenylphenyl)-2-methylpyrimidine
SMILESCc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C23H18N2/c1-17-24-13-12-23(25-17)22-15-20(18-8-4-2-5-9-18)14-21(16-22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyMQOXOHAVPALXDC-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.79
Rot. Bonds3

About 4-(3,5-diphenylphenyl)-2-methylpyrimidine

4-(3,5-diphenylphenyl)-2-methylpyrimidine (PubChem CID 129265272) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)-2-methylpyrimidine
PubChem CID129265272
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name4-(3,5-diphenylphenyl)-2-methylpyrimidine
SMILESCc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C23H18N2/c1-17-24-13-12-23(25-17)22-15-20(18-8-4-2-5-9-18)14-21(16-22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyMQOXOHAVPALXDC-UHFFFAOYSA-N
XLogP5.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,5-diphenylphenyl)-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)-2-methylpyrimidine?
The IUPAC name of 4-(3,5-diphenylphenyl)-2-methylpyrimidine (CID 129265272) is 4-(3,5-diphenylphenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(3,5-diphenylphenyl)-2-methylpyrimidine?
The canonical SMILES for 4-(3,5-diphenylphenyl)-2-methylpyrimidine is Cc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.
What is the InChIKey of 4-(3,5-diphenylphenyl)-2-methylpyrimidine?
The InChIKey is MQOXOHAVPALXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-17-24-13-12-23(25-17)22-15-20(18-8-4-2-5-9-18)14-21(16-22)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 4-(3,5-diphenylphenyl)-2-methylpyrimidine?
4-(3,5-diphenylphenyl)-2-methylpyrimidine has a molecular weight of 322.41 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylphenyl)-2-methylpyrimidine is sourced from PubChem (CID 129265272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).