4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine

C28H19ClN2 — CID 118641046

IUPAC4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
SMILESClc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C28H19ClN2/c29-27-19-26(30-28(31-27)22-14-8-3-9-15-22)25-17-23(20-10-4-1-5-11-20)16-24(18-25)21-12-6-2-7-13-21/h1-19H
InChIKeyTZDRPWPXWCOAEK-UHFFFAOYSA-N
MW418.93 g/mol
LogP7.80
Rot. Bonds4

About 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine

4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine (PubChem CID 118641046) has the molecular formula C28H19ClN2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
PubChem CID118641046
Molecular FormulaC28H19ClN2
Molecular Weight418.93 g/mol
Exact Mass418.12
IUPAC Name4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
SMILESClc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C28H19ClN2/c29-27-19-26(30-28(31-27)22-14-8-3-9-15-22)25-17-23(20-10-4-1-5-11-20)16-24(18-25)21-12-6-2-7-13-21/h1-19H
InChIKeyTZDRPWPXWCOAEK-UHFFFAOYSA-N
XLogP7.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
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-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;(3-phenylphenyl)boronic acid
CID 163457362
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 58943669
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
CID 115915027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine (CID 118641046) is 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine is Clc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine?
The InChIKey is TZDRPWPXWCOAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2/c29-27-19-26(30-28(31-27)22-14-8-3-9-15-22)25-17-23(20-10-4-1-5-11-20)16-24(18-25)21-12-6-2-7-13-21/h1-19H.
What are the key properties of 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine?
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine has a molecular weight of 418.93 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 118641046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).