phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone

C29H20N2O — CID 12782476

IUPACphenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C29H20N2O/c32-28(23-17-9-3-10-18-23)25-26(21-13-5-1-6-14-21)30-29(24-19-11-4-12-20-24)31-27(25)22-15-7-2-8-16-22/h1-20H
InChIKeyOAVUUATURPPANM-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.71
Rot. Bonds5

About phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone

phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone (PubChem CID 12782476) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
PubChem CID12782476
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Namephenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C29H20N2O/c32-28(23-17-9-3-10-18-23)25-26(21-13-5-1-6-14-21)30-29(24-19-11-4-12-20-24)31-27(25)22-15-7-2-8-16-22/h1-20H
InChIKeyOAVUUATURPPANM-UHFFFAOYSA-N
XLogP6.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-2-phenylquinolin-4-yl)-phenylmethanone
CID 132540835
(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 171985656
diphenylmethanone;hydron;fluoride
CID 21465824
diphenylmethanone
CID 3102
1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone
CID 138970267
phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
phenyl-(4-phenylphenyl)methanone
CID 155775877
(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone
CID 10571236
4-methyl-2,6-diphenylpyrimidin-5-ol
CID 135012179
5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid
CID 135012181
5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
CID 70132617
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone?
The IUPAC name of phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone (CID 12782476) is phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone.
What is the SMILES notation for phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone?
The canonical SMILES for phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone is O=C(c1ccccc1)c1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone?
The InChIKey is OAVUUATURPPANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c32-28(23-17-9-3-10-18-23)25-26(21-13-5-1-6-14-21)30-29(24-19-11-4-12-20-24)31-27(25)22-15-7-2-8-16-22/h1-20H.
What are the key properties of phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone?
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone has a molecular weight of 412.49 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 12782476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).