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

C31H22FN3 — CID 126592453

IUPAC2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFc1cc(-c2cccc3ccccc23)ccc1C1=NC(c2ccccc2)N=C(c2ccccc2)N1
InChIInChI=1S/C31H22FN3/c32-28-20-24(26-17-9-15-21-10-7-8-16-25(21)26)18-19-27(28)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-20,29H,(H,33,34,35)
InChIKeyMSORDFURQCMHPT-UHFFFAOYSA-N
MW455.54 g/mol
LogP7.14
Rot. Bonds4

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

2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 126592453) has the molecular formula C31H22FN3 and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID126592453
Molecular FormulaC31H22FN3
Molecular Weight455.54 g/mol
Exact Mass455.18
IUPAC Name2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFc1cc(-c2cccc3ccccc23)ccc1C1=NC(c2ccccc2)N=C(c2ccccc2)N1
InChIInChI=1S/C31H22FN3/c32-28-20-24(26-17-9-15-21-10-7-8-16-25(21)26)18-19-27(28)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-20,29H,(H,33,34,35)
InChIKeyMSORDFURQCMHPT-UHFFFAOYSA-N
XLogP7.14
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 126592453) is 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is Fc1cc(-c2cccc3ccccc23)ccc1C1=NC(c2ccccc2)N=C(c2ccccc2)N1.
What is the InChIKey of 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is MSORDFURQCMHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN3/c32-28-20-24(26-17-9-15-21-10-7-8-16-25(21)26)18-19-27(28)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-20,29H,(H,33,34,35).
What are the key properties of 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 455.54 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 126592453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).