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

C33H21Br2N3 — CID 46900331

IUPAC2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C33H21Br2N3/c34-29-19-28(20-30(35)21-29)33-37-31(26-15-7-13-24(17-26)22-9-3-1-4-10-22)36-32(38-33)27-16-8-14-25(18-27)23-11-5-2-6-12-23/h1-21H
InChIKeyUIXJXPLYOGSPMR-UHFFFAOYSA-N
MW619.36 g/mol
LogP9.73
Rot. Bonds5

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

2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 46900331) has the molecular formula C33H21Br2N3 and a molecular weight of 619.36 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID46900331
Molecular FormulaC33H21Br2N3
Molecular Weight619.36 g/mol
Exact Mass617.01
IUPAC Name2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C33H21Br2N3/c34-29-19-28(20-30(35)21-29)33-37-31(26-15-7-13-24(17-26)22-9-3-1-4-10-22)36-32(38-33)27-16-8-14-25(18-27)23-11-5-2-6-12-23/h1-21H
InChIKeyUIXJXPLYOGSPMR-UHFFFAOYSA-N
XLogP9.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.36
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 46900331) is 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is Brc1cc(Br)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is UIXJXPLYOGSPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21Br2N3/c34-29-19-28(20-30(35)21-29)33-37-31(26-15-7-13-24(17-26)22-9-3-1-4-10-22)36-32(38-33)27-16-8-14-25(18-27)23-11-5-2-6-12-23/h1-21H.
What are the key properties of 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 619.36 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 46900331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).