2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine

C33H19Br2Cl2N3 — CID 58526512

IUPAC2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine
SMILESClc1cc(-c2ccccc2)cc(-c2nc(-c3cc(Br)cc(Br)c3)nc(-c3cc(Cl)cc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C33H19Br2Cl2N3/c34-27-13-26(14-28(35)19-27)33-39-31(24-11-22(15-29(36)17-24)20-7-3-1-4-8-20)38-32(40-33)25-12-23(16-30(37)18-25)21-9-5-2-6-10-21/h1-19H
InChIKeyXLYQIWOBXWVZHO-UHFFFAOYSA-N
MW688.25 g/mol
LogP11.04
Rot. Bonds5

About 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine

2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine (PubChem CID 58526512) has the molecular formula C33H19Br2Cl2N3 and a molecular weight of 688.25 g/mol. Its IUPAC name is 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine
PubChem CID58526512
Molecular FormulaC33H19Br2Cl2N3
Molecular Weight688.25 g/mol
Exact Mass684.93
IUPAC Name2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine
SMILESClc1cc(-c2ccccc2)cc(-c2nc(-c3cc(Br)cc(Br)c3)nc(-c3cc(Cl)cc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C33H19Br2Cl2N3/c34-27-13-26(14-28(35)19-27)33-39-31(24-11-22(15-29(36)17-24)20-7-3-1-4-8-20)38-32(40-33)25-12-23(16-30(37)18-25)21-9-5-2-6-10-21/h1-19H
InChIKeyXLYQIWOBXWVZHO-UHFFFAOYSA-N
XLogP11.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.25
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine (CID 58526512) is 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine is Clc1cc(-c2ccccc2)cc(-c2nc(-c3cc(Br)cc(Br)c3)nc(-c3cc(Cl)cc(-c4ccccc4)c3)n2)c1.
What is the InChIKey of 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine?
The InChIKey is XLYQIWOBXWVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19Br2Cl2N3/c34-27-13-26(14-28(35)19-27)33-39-31(24-11-22(15-29(36)17-24)20-7-3-1-4-8-20)38-32(40-33)25-12-23(16-30(37)18-25)21-9-5-2-6-10-21/h1-19H.
What are the key properties of 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine?
2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine has a molecular weight of 688.25 g/mol, XLogP of 11.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine is sourced from PubChem (CID 58526512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).