2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine

C24H15F9N6 — CID 154659659

IUPAC2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESFC(F)(F)c1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C24H15F9N6/c25-22(26,27)13-1-7-16(8-2-13)34-19-37-20(35-17-9-3-14(4-10-17)23(28,29)30)39-21(38-19)36-18-11-5-15(6-12-18)24(31,32)33/h1-12H,(H3,34,35,36,37,38,39)
InChIKeyJVLOWGCRTOXYQN-UHFFFAOYSA-N
MW558.41 g/mol
LogP8.16
Rot. Bonds6

About 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 154659659) has the molecular formula C24H15F9N6 and a molecular weight of 558.41 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID154659659
Molecular FormulaC24H15F9N6
Molecular Weight558.41 g/mol
Exact Mass558.12
IUPAC Name2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESFC(F)(F)c1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C24H15F9N6/c25-22(26,27)13-1-7-16(8-2-13)34-19-37-20(35-17-9-3-14(4-10-17)23(28,29)30)39-21(38-19)36-18-11-5-15(6-12-18)24(31,32)33/h1-12H,(H3,34,35,36,37,38,39)
InChIKeyJVLOWGCRTOXYQN-UHFFFAOYSA-N
XLogP8.16
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.41
LogP ≤ 58.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 154659659) is 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine is FC(F)(F)c1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JVLOWGCRTOXYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F9N6/c25-22(26,27)13-1-7-16(8-2-13)34-19-37-20(35-17-9-3-14(4-10-17)23(28,29)30)39-21(38-19)36-18-11-5-15(6-12-18)24(31,32)33/h1-12H,(H3,34,35,36,37,38,39).
What are the key properties of 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 558.41 g/mol, XLogP of 8.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 154659659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).