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

C27H24Cl3N3 — CID 102481552

IUPAC2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine
SMILESCc1cc(Cl)c(-c2nc(-c3cc(C)c(C)cc3Cl)nc(-c3cc(C)c(C)cc3Cl)n2)cc1C
InChIInChI=1S/C27H24Cl3N3/c1-13-7-19(22(28)10-16(13)4)25-31-26(20-8-14(2)17(5)11-23(20)29)33-27(32-25)21-9-15(3)18(6)12-24(21)30/h7-12H,1-6H3
InChIKeyMZZCMAQEXBNBKT-UHFFFAOYSA-N
MW496.87 g/mol
LogP8.68
Rot. Bonds3

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

2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine (PubChem CID 102481552) has the molecular formula C27H24Cl3N3 and a molecular weight of 496.87 g/mol. Its IUPAC name is 2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine
PubChem CID102481552
Molecular FormulaC27H24Cl3N3
Molecular Weight496.87 g/mol
Exact Mass495.10
IUPAC Name2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine
SMILESCc1cc(Cl)c(-c2nc(-c3cc(C)c(C)cc3Cl)nc(-c3cc(C)c(C)cc3Cl)n2)cc1C
InChIInChI=1S/C27H24Cl3N3/c1-13-7-19(22(28)10-16(13)4)25-31-26(20-8-14(2)17(5)11-23(20)29)33-27(32-25)21-9-15(3)18(6)12-24(21)30/h7-12H,1-6H3
InChIKeyMZZCMAQEXBNBKT-UHFFFAOYSA-N
XLogP8.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.87
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine (CID 102481552) is 2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine is Cc1cc(Cl)c(-c2nc(-c3cc(C)c(C)cc3Cl)nc(-c3cc(C)c(C)cc3Cl)n2)cc1C.
What is the InChIKey of 2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine?
The InChIKey is MZZCMAQEXBNBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl3N3/c1-13-7-19(22(28)10-16(13)4)25-31-26(20-8-14(2)17(5)11-23(20)29)33-27(32-25)21-9-15(3)18(6)12-24(21)30/h7-12H,1-6H3.
What are the key properties of 2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine?
2,4,6-tris(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine has a molecular weight of 496.87 g/mol, XLogP of 8.68, 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(2-chloro-4,5-dimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 102481552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).