2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine

C20H13BrN4 — CID 142592699

IUPAC2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)nc1
InChIInChI=1S/C20H13BrN4/c21-16-11-12-17(22-13-16)20-24-18(14-7-3-1-4-8-14)23-19(25-20)15-9-5-2-6-10-15/h1-13H
InChIKeyIWCVNBQCPBEDGY-UHFFFAOYSA-N
MW389.26 g/mol
LogP5.03
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine

2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 142592699) has the molecular formula C20H13BrN4 and a molecular weight of 389.26 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID142592699
Molecular FormulaC20H13BrN4
Molecular Weight389.26 g/mol
Exact Mass388.03
IUPAC Name2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)nc1
InChIInChI=1S/C20H13BrN4/c21-16-11-12-17(22-13-16)20-24-18(14-7-3-1-4-8-14)23-19(25-20)15-9-5-2-6-10-15/h1-13H
InChIKeyIWCVNBQCPBEDGY-UHFFFAOYSA-N
XLogP5.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
5-bromo-2-phenylpyrimidine
CID 14387745
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-(5-bromo-2-pyridinyl)quinoxaline
CID 162515253
5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
CID 88894608
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
CID 145132508
CID 145132508
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine (CID 142592699) is 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine is Brc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)nc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is IWCVNBQCPBEDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4/c21-16-11-12-17(22-13-16)20-24-18(14-7-3-1-4-8-14)23-19(25-20)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine?
2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 389.26 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142592699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).