2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine

C36H23BrN6 — CID 155195987

IUPAC2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESBrc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)c1
InChIInChI=1S/C36H23BrN6/c37-33-19-31(30-6-3-17-40-23-30)18-32(20-33)36-42-34(26-11-7-24(8-12-26)28-4-1-15-38-21-28)41-35(43-36)27-13-9-25(10-14-27)29-5-2-16-39-22-29/h1-23H
InChIKeyPHRLWMSLNDRWIS-UHFFFAOYSA-N
MW619.53 g/mol
LogP8.82
Rot. Bonds6

About 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 155195987) has the molecular formula C36H23BrN6 and a molecular weight of 619.53 g/mol. Its IUPAC name is 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID155195987
Molecular FormulaC36H23BrN6
Molecular Weight619.53 g/mol
Exact Mass618.12
IUPAC Name2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESBrc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)c1
InChIInChI=1S/C36H23BrN6/c37-33-19-31(30-6-3-17-40-23-30)18-32(20-33)36-42-34(26-11-7-24(8-12-26)28-4-1-15-38-21-28)41-35(43-36)27-13-9-25(10-14-27)29-5-2-16-39-22-29/h1-23H
InChIKeyPHRLWMSLNDRWIS-UHFFFAOYSA-N
XLogP8.82
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.53
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708562
2-(3-bromo-5-pyridin-3-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708589
2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708586
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 155195938
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 150429828
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708578
2-[3-bromo-5-(4-pyridin-3-ylphenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 152888267
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925
5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155708549

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 155195987) is 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine is Brc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)c1.
What is the InChIKey of 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is PHRLWMSLNDRWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN6/c37-33-19-31(30-6-3-17-40-23-30)18-32(20-33)36-42-34(26-11-7-24(8-12-26)28-4-1-15-38-21-28)41-35(43-36)27-13-9-25(10-14-27)29-5-2-16-39-22-29/h1-23H.
What are the key properties of 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 619.53 g/mol, XLogP of 8.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155195987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).