1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine

C21H16ClN3 — CID 164903430

IUPAC1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
SMILESClN1C=NC(c2ccccc2)=NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16ClN3/c22-25-15-23-20(18-9-5-2-6-10-18)24-21(25)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15,21H
InChIKeyPVLQCXBVTJWXQH-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.30
Rot. Bonds3

About 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine

1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine (PubChem CID 164903430) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
PubChem CID164903430
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
SMILESClN1C=NC(c2ccccc2)=NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16ClN3/c22-25-15-23-20(18-9-5-2-6-10-18)24-21(25)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15,21H
InChIKeyPVLQCXBVTJWXQH-UHFFFAOYSA-N
XLogP5.30
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine?
The IUPAC name of 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine (CID 164903430) is 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine.
What is the SMILES notation for 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine?
The canonical SMILES for 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine is ClN1C=NC(c2ccccc2)=NC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine?
The InChIKey is PVLQCXBVTJWXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c22-25-15-23-20(18-9-5-2-6-10-18)24-21(25)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15,21H.
What are the key properties of 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine?
1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine has a molecular weight of 345.83 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine is sourced from PubChem (CID 164903430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).