2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

C20H13ClN4 — CID 142751330

IUPAC2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C20H13ClN4/c21-20-24-18(16-4-2-1-3-5-16)23-19(25-20)17-8-6-14(7-9-17)15-10-12-22-13-11-15/h1-13H
InChIKeyDDBRANCSPCTTHZ-UHFFFAOYSA-N
MW344.81 g/mol
LogP4.92
Rot. Bonds3

About 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 142751330) has the molecular formula C20H13ClN4 and a molecular weight of 344.81 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID142751330
Molecular FormulaC20H13ClN4
Molecular Weight344.81 g/mol
Exact Mass344.08
IUPAC Name2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C20H13ClN4/c21-20-24-18(16-4-2-1-3-5-16)23-19(25-20)17-8-6-14(7-9-17)15-10-12-22-13-11-15/h1-13H
InChIKeyDDBRANCSPCTTHZ-UHFFFAOYSA-N
XLogP4.92
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
azane;4-phenylpyridine
CID 175775455
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 126755474
2,4-diphenyl-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 167534445
2-[4-(2,5-diphenylphenyl)-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 142751330) is 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccncc3)cc2)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is DDBRANCSPCTTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4/c21-20-24-18(16-4-2-1-3-5-16)23-19(25-20)17-8-6-14(7-9-17)15-10-12-22-13-11-15/h1-13H.
What are the key properties of 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 344.81 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 142751330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).