2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine

C31H20FN3 — CID 126592456

IUPAC2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C31H20FN3/c32-26-19-24(28-17-9-15-21-10-7-8-16-27(21)28)18-25(20-26)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-20H
InChIKeyNMQKMVNSIUPKAP-UHFFFAOYSA-N
MW453.52 g/mol
LogP7.83
Rot. Bonds4

About 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine

2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 126592456) has the molecular formula C31H20FN3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID126592456
Molecular FormulaC31H20FN3
Molecular Weight453.52 g/mol
Exact Mass453.16
IUPAC Name2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C31H20FN3/c32-26-19-24(28-17-9-15-21-10-7-8-16-27(21)28)18-25(20-26)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-20H
InChIKeyNMQKMVNSIUPKAP-UHFFFAOYSA-N
XLogP7.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 126592456) is 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine is Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is NMQKMVNSIUPKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20FN3/c32-26-19-24(28-17-9-15-21-10-7-8-16-27(21)28)18-25(20-26)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-20H.
What are the key properties of 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 453.52 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 126592456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).