4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine

C22H15ClN2 — CID 118640865

IUPAC4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESClc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H15ClN2/c23-21-15-20(24-22(25-21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H
InChIKeyJWWMUTCXVNBWGP-UHFFFAOYSA-N
MW342.83 g/mol
LogP6.13
Rot. Bonds3

About 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 118640865) has the molecular formula C22H15ClN2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID118640865
Molecular FormulaC22H15ClN2
Molecular Weight342.83 g/mol
Exact Mass342.09
IUPAC Name4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESClc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H15ClN2/c23-21-15-20(24-22(25-21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H
InChIKeyJWWMUTCXVNBWGP-UHFFFAOYSA-N
XLogP6.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 118640865) is 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine is Clc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is JWWMUTCXVNBWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2/c23-21-15-20(24-22(25-21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H.
What are the key properties of 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 342.83 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 118640865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).