2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine

C21H14ClN3 — CID 151473661

IUPAC2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2ncnc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H14ClN3/c22-19-12-10-18(11-13-19)21-24-14-23-20(25-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H
InChIKeyPKZPBOFCGYHZLY-UHFFFAOYSA-N
MW343.82 g/mol
LogP5.53
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine

2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 151473661) has the molecular formula C21H14ClN3 and a molecular weight of 343.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
PubChem CID151473661
Molecular FormulaC21H14ClN3
Molecular Weight343.82 g/mol
Exact Mass343.09
IUPAC Name2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2ncnc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H14ClN3/c22-19-12-10-18(11-13-19)21-24-14-23-20(25-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H
InChIKeyPKZPBOFCGYHZLY-UHFFFAOYSA-N
XLogP5.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.82
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
CID 158164242
CID 158164242
2-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036
2-(4-fluoro-3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 174842436
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
acetic acid;2,4-diphenyl-1,3,5-triazine;ethane
CID 91591144
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234
9-[4-(4-chlorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155445890
2-phenyl-4-(trichloromethyl)-1,3,5-triazine
CID 18985813

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine (CID 151473661) is 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine is Clc1ccc(-c2ncnc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is PKZPBOFCGYHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3/c22-19-12-10-18(11-13-19)21-24-14-23-20(25-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H.
What are the key properties of 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine?
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 343.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 151473661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).