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

C44H30Cl2N4 — CID 158883215

IUPAC4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.Clc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/2C22H15ClN2/c2*23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2*1-15H
InChIKeyJDHBQDBYLKJCME-UHFFFAOYSA-N
MW685.66 g/mol
LogP12.26
Rot. Bonds6

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

4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 158883215) has the molecular formula C44H30Cl2N4 and a molecular weight of 685.66 g/mol. Its IUPAC name is 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID158883215
Molecular FormulaC44H30Cl2N4
Molecular Weight685.66 g/mol
Exact Mass684.18
IUPAC Name4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.Clc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/2C22H15ClN2/c2*23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2*1-15H
InChIKeyJDHBQDBYLKJCME-UHFFFAOYSA-N
XLogP12.26
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.66
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
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
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034
4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170004607

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 158883215) is 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine is Clc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.Clc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is JDHBQDBYLKJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15ClN2/c2*23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2*1-15H.
What are the key properties of 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine?
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 685.66 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 158883215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).