2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C29H17BrFN3 — CID 156563901

IUPAC2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)ccc1Br
InChIInChI=1S/C29H17BrFN3/c30-25-14-13-24(17-26(25)31)29-33-27(22-11-9-18-5-1-3-7-20(18)15-22)32-28(34-29)23-12-10-19-6-2-4-8-21(19)16-23/h1-17H
InChIKeyWEIKQRAFMKPRDH-UHFFFAOYSA-N
MW506.38 g/mol
LogP8.08
Rot. Bonds3

About 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 156563901) has the molecular formula C29H17BrFN3 and a molecular weight of 506.38 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID156563901
Molecular FormulaC29H17BrFN3
Molecular Weight506.38 g/mol
Exact Mass505.06
IUPAC Name2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)ccc1Br
InChIInChI=1S/C29H17BrFN3/c30-25-14-13-24(17-26(25)31)29-33-27(22-11-9-18-5-1-3-7-20(18)15-22)32-28(34-29)23-12-10-19-6-2-4-8-21(19)16-23/h1-17H
InChIKeyWEIKQRAFMKPRDH-UHFFFAOYSA-N
XLogP8.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.38
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 156563901) is 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is Fc1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is WEIKQRAFMKPRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17BrFN3/c30-25-14-13-24(17-26(25)31)29-33-27(22-11-9-18-5-1-3-7-20(18)15-22)32-28(34-29)23-12-10-19-6-2-4-8-21(19)16-23/h1-17H.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 506.38 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 156563901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).