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

C21H12Br2ClN3 — CID 67369266

IUPAC2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine
SMILESClc1cc(-c2ccccc2)cc(-c2ncnc(-c3cc(Br)cc(Br)c3)n2)c1
InChIInChI=1S/C21H12Br2ClN3/c22-17-7-16(8-18(23)11-17)21-26-12-25-20(27-21)15-6-14(9-19(24)10-15)13-4-2-1-3-5-13/h1-12H
InChIKeyUBEGHGMOXKADJE-UHFFFAOYSA-N
MW501.61 g/mol
LogP7.05
Rot. Bonds3

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

2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine (PubChem CID 67369266) has the molecular formula C21H12Br2ClN3 and a molecular weight of 501.61 g/mol. Its IUPAC name is 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine
PubChem CID67369266
Molecular FormulaC21H12Br2ClN3
Molecular Weight501.61 g/mol
Exact Mass498.91
IUPAC Name2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine
SMILESClc1cc(-c2ccccc2)cc(-c2ncnc(-c3cc(Br)cc(Br)c3)n2)c1
InChIInChI=1S/C21H12Br2ClN3/c22-17-7-16(8-18(23)11-17)21-26-12-25-20(27-21)15-6-14(9-19(24)10-15)13-4-2-1-3-5-13/h1-12H
InChIKeyUBEGHGMOXKADJE-UHFFFAOYSA-N
XLogP7.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine (CID 67369266) is 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine is Clc1cc(-c2ccccc2)cc(-c2ncnc(-c3cc(Br)cc(Br)c3)n2)c1.
What is the InChIKey of 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine?
The InChIKey is UBEGHGMOXKADJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Br2ClN3/c22-17-7-16(8-18(23)11-17)21-26-12-25-20(27-21)15-6-14(9-19(24)10-15)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine?
2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine has a molecular weight of 501.61 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine is sourced from PubChem (CID 67369266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).