2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine

C41H26BrN3 — CID 59188602

IUPAC2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1
InChIInChI=1S/C41H26BrN3/c42-38-23-21-33(22-24-38)41-44-39(31-15-9-29(10-16-31)36-19-13-27-5-1-3-7-34(27)25-36)43-40(45-41)32-17-11-30(12-18-32)37-20-14-28-6-2-4-8-35(28)26-37/h1-26H
InChIKeyFPYQEQFNOKUCLF-UHFFFAOYSA-N
MW640.58 g/mol
LogP11.28
Rot. Bonds5

About 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine

2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 59188602) has the molecular formula C41H26BrN3 and a molecular weight of 640.58 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
PubChem CID59188602
Molecular FormulaC41H26BrN3
Molecular Weight640.58 g/mol
Exact Mass639.13
IUPAC Name2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1
InChIInChI=1S/C41H26BrN3/c42-38-23-21-33(22-24-38)41-44-39(31-15-9-29(10-16-31)36-19-13-27-5-1-3-7-34(27)25-36)43-40(45-41)32-17-11-30(12-18-32)37-20-14-28-6-2-4-8-35(28)26-37/h1-26H
InChIKeyFPYQEQFNOKUCLF-UHFFFAOYSA-N
XLogP11.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.58
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 59188602) is 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine is Brc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is FPYQEQFNOKUCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26BrN3/c42-38-23-21-33(22-24-38)41-44-39(31-15-9-29(10-16-31)36-19-13-27-5-1-3-7-34(27)25-36)43-40(45-41)32-17-11-30(12-18-32)37-20-14-28-6-2-4-8-35(28)26-37/h1-26H.
What are the key properties of 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 640.58 g/mol, XLogP of 11.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 59188602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).