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

C27H18FN3 — CID 126591859

IUPAC2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccccc1
InChIInChI=1S/C27H18FN3/c28-24-18-22(16-17-23(24)19-10-4-1-5-11-19)27-30-25(20-12-6-2-7-13-20)29-26(31-27)21-14-8-3-9-15-21/h1-18H
InChIKeyIZQLYLAKPSAEOH-UHFFFAOYSA-N
MW403.46 g/mol
LogP6.68
Rot. Bonds4

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

2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 126591859) has the molecular formula C27H18FN3 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID126591859
Molecular FormulaC27H18FN3
Molecular Weight403.46 g/mol
Exact Mass403.15
IUPAC Name2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccccc1
InChIInChI=1S/C27H18FN3/c28-24-18-22(16-17-23(24)19-10-4-1-5-11-19)27-30-25(20-12-6-2-7-13-20)29-26(31-27)21-14-8-3-9-15-21/h1-18H
InChIKeyIZQLYLAKPSAEOH-UHFFFAOYSA-N
XLogP6.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 126591859) is 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine is Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccccc1.
What is the InChIKey of 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is IZQLYLAKPSAEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN3/c28-24-18-22(16-17-23(24)19-10-4-1-5-11-19)27-30-25(20-12-6-2-7-13-20)29-26(31-27)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 403.46 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 126591859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).