2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline

C27H19FN4 — CID 139303881

IUPAC2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline
SMILESNc1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)ccc1F
InChIInChI=1S/C27H19FN4/c28-23-15-14-22(17-24(23)29)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(16-21)18-8-3-1-4-9-18/h1-17H,29H2
InChIKeyPPCCGQUXFKTXMF-UHFFFAOYSA-N
MW418.48 g/mol
LogP6.26
Rot. Bonds4

About 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline

2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline (PubChem CID 139303881) has the molecular formula C27H19FN4 and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline
PubChem CID139303881
Molecular FormulaC27H19FN4
Molecular Weight418.48 g/mol
Exact Mass418.16
IUPAC Name2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline
SMILESNc1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)ccc1F
InChIInChI=1S/C27H19FN4/c28-23-15-14-22(17-24(23)29)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(16-21)18-8-3-1-4-9-18/h1-17H,29H2
InChIKeyPPCCGQUXFKTXMF-UHFFFAOYSA-N
XLogP6.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[3-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158062871
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline (CID 139303881) is 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline is Nc1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)ccc1F.
What is the InChIKey of 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The InChIKey is PPCCGQUXFKTXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4/c28-23-15-14-22(17-24(23)29)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(16-21)18-8-3-1-4-9-18/h1-17H,29H2.
What are the key properties of 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline has a molecular weight of 418.48 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 139303881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).