4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine

C22H14Cl2N2 — CID 171832705

IUPAC4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
SMILESClc1cccc(-c2nc(Cl)cc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C22H14Cl2N2/c23-19-8-4-7-18(13-19)22-25-20(14-21(24)26-22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14H
InChIKeyWWHQQQSSWXJGJH-UHFFFAOYSA-N
MW377.27 g/mol
LogP6.78
Rot. Bonds3

About 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine

4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine (PubChem CID 171832705) has the molecular formula C22H14Cl2N2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
PubChem CID171832705
Molecular FormulaC22H14Cl2N2
Molecular Weight377.27 g/mol
Exact Mass376.05
IUPAC Name4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
SMILESClc1cccc(-c2nc(Cl)cc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C22H14Cl2N2/c23-19-8-4-7-18(13-19)22-25-20(14-21(24)26-22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14H
InChIKeyWWHQQQSSWXJGJH-UHFFFAOYSA-N
XLogP6.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 169004297
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine
CID 139269948
4-chloro-2,6-diphenylpyrimidine;(3-chlorophenyl)boronic acid;4-(3-chlorophenyl)-2,6-diphenylpyrimidine
CID 159075593
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748
4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine
CID 135379552
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
2-[4-(3-chlorophenyl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166916408
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine (CID 171832705) is 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine is Clc1cccc(-c2nc(Cl)cc(-c3ccc(-c4ccccc4)cc3)n2)c1.
What is the InChIKey of 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine?
The InChIKey is WWHQQQSSWXJGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2/c23-19-8-4-7-18(13-19)22-25-20(14-21(24)26-22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14H.
What are the key properties of 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine?
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine has a molecular weight of 377.27 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 171832705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).