2,4,6-tris(4-chlorophenyl)-1,3,5-triazine

C21H12Cl3N3 — CID 18373

IUPAC2,4,6-tris(4-chlorophenyl)-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H12Cl3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
InChIKeyHNUCWEZQTAGOAW-UHFFFAOYSA-N
MW412.71 g/mol
LogP6.83
Rot. Bonds3

About 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine

2,4,6-tris(4-chlorophenyl)-1,3,5-triazine (PubChem CID 18373) has the molecular formula C21H12Cl3N3 and a molecular weight of 412.71 g/mol. Its IUPAC name is 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-chlorophenyl)-1,3,5-triazine
PubChem CID18373
Molecular FormulaC21H12Cl3N3
Molecular Weight412.71 g/mol
Exact Mass411.01
IUPAC Name2,4,6-tris(4-chlorophenyl)-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H12Cl3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
InChIKeyHNUCWEZQTAGOAW-UHFFFAOYSA-N
XLogP6.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
Kyaphenine
CID 10305
1,2,4-Thiadiazole, 3,5-bis(4-chlorophenyl)-
CID 199390
2-Methyl-4,6-diphenyl-1,3,5-triazine
CID 19196
2-Chloro-4,6-diphenyl-1,3,5-triazine
CID 19698
6-(3,4-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 34920
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
6-(2,4-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852433
2,4,6-Tris(4-methylphenyl)-1,3,5-triazine
CID 23182
4,6-Bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine
CID 44531315
6-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 308819

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine (CID 18373) is 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine?
The InChIKey is HNUCWEZQTAGOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H.
What are the key properties of 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine?
2,4,6-tris(4-chlorophenyl)-1,3,5-triazine has a molecular weight of 412.71 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-chlorophenyl)-1,3,5-triazine is sourced from PubChem (CID 18373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).