2,4,6-triphenylpyrimidine

C22H16N2 — CID 1201436

IUPAC2,4,6-triphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16H
InChIKeySZKWMQWGJPCXOF-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.48
Rot. Bonds3

About 2,4,6-triphenylpyrimidine

2,4,6-triphenylpyrimidine (PubChem CID 1201436) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,4,6-triphenylpyrimidine.

Molecular Properties

Compound Name2,4,6-triphenylpyrimidine
PubChem CID1201436
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name2,4,6-triphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16H
InChIKeySZKWMQWGJPCXOF-UHFFFAOYSA-N
XLogP5.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylpyrimidine?
The IUPAC name of 2,4,6-triphenylpyrimidine (CID 1201436) is 2,4,6-triphenylpyrimidine.
What is the SMILES notation for 2,4,6-triphenylpyrimidine?
The canonical SMILES for 2,4,6-triphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4,6-triphenylpyrimidine?
The InChIKey is SZKWMQWGJPCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 2,4,6-triphenylpyrimidine?
2,4,6-triphenylpyrimidine has a molecular weight of 308.38 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylpyrimidine is sourced from PubChem (CID 1201436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).