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

C27H27N3 — CID 22475994

IUPAC2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3cccc(C)c3C)nc(-c3cccc(C)c3C)n2)c1C
InChIInChI=1S/C27H27N3/c1-16-10-7-13-22(19(16)4)25-28-26(23-14-8-11-17(2)20(23)5)30-27(29-25)24-15-9-12-18(3)21(24)6/h7-15H,1-6H3
InChIKeyBKUNGXKQNUUOPY-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.72
Rot. Bonds3

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

2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine (PubChem CID 22475994) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
PubChem CID22475994
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC Name2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3cccc(C)c3C)nc(-c3cccc(C)c3C)n2)c1C
InChIInChI=1S/C27H27N3/c1-16-10-7-13-22(19(16)4)25-28-26(23-14-8-11-17(2)20(23)5)30-27(29-25)24-15-9-12-18(3)21(24)6/h7-15H,1-6H3
InChIKeyBKUNGXKQNUUOPY-UHFFFAOYSA-N
XLogP6.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.72
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(2,3-dimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine (CID 22475994) is 2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine is Cc1cccc(-c2nc(-c3cccc(C)c3C)nc(-c3cccc(C)c3C)n2)c1C.
What is the InChIKey of 2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine?
The InChIKey is BKUNGXKQNUUOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-16-10-7-13-22(19(16)4)25-28-26(23-14-8-11-17(2)20(23)5)30-27(29-25)24-15-9-12-18(3)21(24)6/h7-15H,1-6H3.
What are the key properties of 2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine?
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine has a molecular weight of 393.53 g/mol, XLogP of 6.72, 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(2,3-dimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 22475994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).