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

C39H24Cl3N3 — CID 71154538

IUPAC2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine
SMILESClc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(Cl)cc5)cc4)nc(-c4ccc(-c5ccc(Cl)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C39H24Cl3N3/c40-34-19-13-28(14-20-34)25-1-7-31(8-2-25)37-43-38(32-9-3-26(4-10-32)29-15-21-35(41)22-16-29)45-39(44-37)33-11-5-27(6-12-33)30-17-23-36(42)24-18-30/h1-24H
InChIKeyVJIDTTZEPIMCRS-UHFFFAOYSA-N
MW641.00 g/mol
LogP11.83
Rot. Bonds6

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

2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine (PubChem CID 71154538) has the molecular formula C39H24Cl3N3 and a molecular weight of 641.00 g/mol. Its IUPAC name is 2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine
PubChem CID71154538
Molecular FormulaC39H24Cl3N3
Molecular Weight641.00 g/mol
Exact Mass639.10
IUPAC Name2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine
SMILESClc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(Cl)cc5)cc4)nc(-c4ccc(-c5ccc(Cl)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C39H24Cl3N3/c40-34-19-13-28(14-20-34)25-1-7-31(8-2-25)37-43-38(32-9-3-26(4-10-32)29-15-21-35(41)22-16-29)45-39(44-37)33-11-5-27(6-12-33)30-17-23-36(42)24-18-30/h1-24H
InChIKeyVJIDTTZEPIMCRS-UHFFFAOYSA-N
XLogP11.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.00
LogP ≤ 511.83
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[4-(4-chlorophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine (CID 71154538) is 2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine is Clc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(Cl)cc5)cc4)nc(-c4ccc(-c5ccc(Cl)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine?
The InChIKey is VJIDTTZEPIMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24Cl3N3/c40-34-19-13-28(14-20-34)25-1-7-31(8-2-25)37-43-38(32-9-3-26(4-10-32)29-15-21-35(41)22-16-29)45-39(44-37)33-11-5-27(6-12-33)30-17-23-36(42)24-18-30/h1-24H.
What are the key properties of 2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine?
2,4,6-tris[4-(4-chlorophenyl)phenyl]-1,3,5-triazine has a molecular weight of 641.00 g/mol, XLogP of 11.83, 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[4-(4-chlorophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 71154538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).