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

C21H13Cl2N3 — CID 586534

IUPAC2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H13Cl2N3/c22-17-10-6-15(7-11-17)20-24-19(14-4-2-1-3-5-14)25-21(26-20)16-8-12-18(23)13-9-16/h1-13H
InChIKeyFDBNMHFNASHLMY-UHFFFAOYSA-N
MW378.26 g/mol
LogP6.18
Rot. Bonds3

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

2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine (PubChem CID 586534) has the molecular formula C21H13Cl2N3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine
PubChem CID586534
Molecular FormulaC21H13Cl2N3
Molecular Weight378.26 g/mol
Exact Mass377.05
IUPAC Name2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H13Cl2N3/c22-17-10-6-15(7-11-17)20-24-19(14-4-2-1-3-5-14)25-21(26-20)16-8-12-18(23)13-9-16/h1-13H
InChIKeyFDBNMHFNASHLMY-UHFFFAOYSA-N
XLogP6.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine (CID 586534) is 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is FDBNMHFNASHLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3/c22-17-10-6-15(7-11-17)20-24-19(14-4-2-1-3-5-14)25-21(26-20)16-8-12-18(23)13-9-16/h1-13H.
What are the key properties of 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine?
2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 378.26 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 586534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).