2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine

C23H18ClN3 — CID 576098

IUPAC2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H18ClN3/c1-15-3-7-17(8-4-15)21-25-22(18-9-5-16(2)6-10-18)27-23(26-21)19-11-13-20(24)14-12-19/h3-14H,1-2H3
InChIKeyZMEQMDKGAVJQHG-UHFFFAOYSA-N
MW371.87 g/mol
LogP6.14
Rot. Bonds3

About 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine

2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine (PubChem CID 576098) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
PubChem CID576098
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC Name2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H18ClN3/c1-15-3-7-17(8-4-15)21-25-22(18-9-5-16(2)6-10-18)27-23(26-21)19-11-13-20(24)14-12-19/h3-14H,1-2H3
InChIKeyZMEQMDKGAVJQHG-UHFFFAOYSA-N
XLogP6.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine (CID 576098) is 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The InChIKey is ZMEQMDKGAVJQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3/c1-15-3-7-17(8-4-15)21-25-22(18-9-5-16(2)6-10-18)27-23(26-21)19-11-13-20(24)14-12-19/h3-14H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine has a molecular weight of 371.87 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 576098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).