2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C27H18BrN3 — CID 155151393

IUPAC2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H18BrN3/c28-24-14-8-7-13-23(24)27-30-25(21-11-5-2-6-12-21)29-26(31-27)22-17-15-20(16-18-22)19-9-3-1-4-10-19/h1-18H
InChIKeyLEFOXJJGDXMDML-UHFFFAOYSA-N
MW464.37 g/mol
LogP7.30
Rot. Bonds4

About 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 155151393) has the molecular formula C27H18BrN3 and a molecular weight of 464.37 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID155151393
Molecular FormulaC27H18BrN3
Molecular Weight464.37 g/mol
Exact Mass463.07
IUPAC Name2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H18BrN3/c28-24-14-8-7-13-23(24)27-30-25(21-11-5-2-6-12-21)29-26(31-27)22-17-15-20(16-18-22)19-9-3-1-4-10-19/h1-18H
InChIKeyLEFOXJJGDXMDML-UHFFFAOYSA-N
XLogP7.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 163296684
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline
CID 158874514
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 155151393) is 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Brc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is LEFOXJJGDXMDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrN3/c28-24-14-8-7-13-23(24)27-30-25(21-11-5-2-6-12-21)29-26(31-27)22-17-15-20(16-18-22)19-9-3-1-4-10-19/h1-18H.
What are the key properties of 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 464.37 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155151393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).