2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine

C26H17ClN4 — CID 122606697

IUPAC2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine
SMILESClc1cccc(-c2cccc(-c3nc(-c4ccncc4)cc(-c4ccncc4)n3)c2)c1
InChIInChI=1S/C26H17ClN4/c27-23-6-2-4-21(16-23)20-3-1-5-22(15-20)26-30-24(18-7-11-28-12-8-18)17-25(31-26)19-9-13-29-14-10-19/h1-17H
InChIKeyFEMGNXSTFPJMNA-UHFFFAOYSA-N
MW420.90 g/mol
LogP6.59
Rot. Bonds4

About 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine

2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine (PubChem CID 122606697) has the molecular formula C26H17ClN4 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine
PubChem CID122606697
Molecular FormulaC26H17ClN4
Molecular Weight420.90 g/mol
Exact Mass420.11
IUPAC Name2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine
SMILESClc1cccc(-c2cccc(-c3nc(-c4ccncc4)cc(-c4ccncc4)n3)c2)c1
InChIInChI=1S/C26H17ClN4/c27-23-6-2-4-21(16-23)20-3-1-5-22(15-20)26-30-24(18-7-11-28-12-8-18)17-25(31-26)19-9-13-29-14-10-19/h1-17H
InChIKeyFEMGNXSTFPJMNA-UHFFFAOYSA-N
XLogP6.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 169004297
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868
4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 118314097
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636492
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165022370

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine?
The IUPAC name of 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine (CID 122606697) is 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine?
The canonical SMILES for 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine is Clc1cccc(-c2cccc(-c3nc(-c4ccncc4)cc(-c4ccncc4)n3)c2)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine?
The InChIKey is FEMGNXSTFPJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN4/c27-23-6-2-4-21(16-23)20-3-1-5-22(15-20)26-30-24(18-7-11-28-12-8-18)17-25(31-26)19-9-13-29-14-10-19/h1-17H.
What are the key properties of 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine?
2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine has a molecular weight of 420.90 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine is sourced from PubChem (CID 122606697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).