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

C25H16BrN3 — CID 126701419

IUPAC2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C25H16BrN3/c26-22-14-12-19(13-15-22)24-27-23(18-7-2-1-3-8-18)28-25(29-24)21-11-10-17-6-4-5-9-20(17)16-21/h1-16H
InChIKeyMXNOODHQWGMJOR-UHFFFAOYSA-N
MW438.33 g/mol
LogP6.79
Rot. Bonds3

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

2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 126701419) has the molecular formula C25H16BrN3 and a molecular weight of 438.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID126701419
Molecular FormulaC25H16BrN3
Molecular Weight438.33 g/mol
Exact Mass437.05
IUPAC Name2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C25H16BrN3/c26-22-14-12-19(13-15-22)24-27-23(18-7-2-1-3-8-18)28-25(29-24)21-11-10-17-6-4-5-9-20(17)16-21/h1-16H
InChIKeyMXNOODHQWGMJOR-UHFFFAOYSA-N
XLogP6.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171457187
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 126701419) is 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is Brc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is MXNOODHQWGMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN3/c26-22-14-12-19(13-15-22)24-27-23(18-7-2-1-3-8-18)28-25(29-24)21-11-10-17-6-4-5-9-20(17)16-21/h1-16H.
What are the key properties of 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 438.33 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 126701419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).