2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine

C27H18Cl3N3 — CID 6434075

IUPAC2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine
SMILESClc1ccc(/C=C/c2nc(/C=C/c3ccc(Cl)cc3)nc(/C=C/c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C27H18Cl3N3/c28-22-10-1-19(2-11-22)7-16-25-31-26(17-8-20-3-12-23(29)13-4-20)33-27(32-25)18-9-21-5-14-24(30)15-6-21/h1-18H/b16-7+,17-8+,18-9+
InChIKeyONQNXLIIJOPBFO-HNBPBLOQSA-N
MW490.82 g/mol
LogP8.34
Rot. Bonds6

About 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine

2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine (PubChem CID 6434075) has the molecular formula C27H18Cl3N3 and a molecular weight of 490.82 g/mol. Its IUPAC name is 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine
PubChem CID6434075
Molecular FormulaC27H18Cl3N3
Molecular Weight490.82 g/mol
Exact Mass489.06
IUPAC Name2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine
SMILESClc1ccc(/C=C/c2nc(/C=C/c3ccc(Cl)cc3)nc(/C=C/c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C27H18Cl3N3/c28-22-10-1-19(2-11-22)7-16-25-31-26(17-8-20-3-12-23(29)13-4-20)33-27(32-25)18-9-21-5-14-24(30)15-6-21/h1-18H/b16-7+,17-8+,18-9+
InChIKeyONQNXLIIJOPBFO-HNBPBLOQSA-N
XLogP8.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 58.34
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[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine (CID 6434075) is 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine is Clc1ccc(/C=C/c2nc(/C=C/c3ccc(Cl)cc3)nc(/C=C/c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine?
The InChIKey is ONQNXLIIJOPBFO-HNBPBLOQSA-N. The full InChI is InChI=1S/C27H18Cl3N3/c28-22-10-1-19(2-11-22)7-16-25-31-26(17-8-20-3-12-23(29)13-4-20)33-27(32-25)18-9-21-5-14-24(30)15-6-21/h1-18H/b16-7+,17-8+,18-9+.
What are the key properties of 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine?
2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine has a molecular weight of 490.82 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine is sourced from PubChem (CID 6434075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).