2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone

C23H17N3O — CID 14068559

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone
SMILESO=C(Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H17N3O/c27-20(17-10-4-1-5-11-17)16-21-24-22(18-12-6-2-7-13-18)26-23(25-21)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyWASYTSCYRGPOIQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.63
Rot. Bonds5

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone (PubChem CID 14068559) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone
PubChem CID14068559
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone
SMILESO=C(Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H17N3O/c27-20(17-10-4-1-5-11-17)16-21-24-22(18-12-6-2-7-13-18)26-23(25-21)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyWASYTSCYRGPOIQ-UHFFFAOYSA-N
XLogP4.63
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
CID 68852154
2-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone
CID 3931624
2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 138548269
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
1,2-diphenylethanone;diphenylmethanone
CID 141067729
benzene;2-hydroxy-1-phenylethanone
CID 174663024
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
2-phenacyl-6-phenylbenzoic acid
CID 59608656

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone (CID 14068559) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone is O=C(Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone?
The InChIKey is WASYTSCYRGPOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-20(17-10-4-1-5-11-17)16-21-24-22(18-12-6-2-7-13-18)26-23(25-21)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone has a molecular weight of 351.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenylethanone is sourced from PubChem (CID 14068559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).