perchloric acid;2,4,5-triphenylpyrimidine

C22H17ClN2O4 — CID 159862899

IUPACperchloric acid;2,4,5-triphenylpyrimidine
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(-c2ncc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16N2.ClHO4/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18;2-1(3,4)5/h1-16H;(H,2,3,4,5)
InChIKeyNRJIIWJPPYSZJJ-UHFFFAOYSA-N
MW408.84 g/mol
LogP1.35
Rot. Bonds3

About perchloric acid;2,4,5-triphenylpyrimidine

perchloric acid;2,4,5-triphenylpyrimidine (PubChem CID 159862899) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is perchloric acid;2,4,5-triphenylpyrimidine.

Molecular Properties

Compound Nameperchloric acid;2,4,5-triphenylpyrimidine
PubChem CID159862899
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Nameperchloric acid;2,4,5-triphenylpyrimidine
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(-c2ncc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16N2.ClHO4/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18;2-1(3,4)5/h1-16H;(H,2,3,4,5)
InChIKeyNRJIIWJPPYSZJJ-UHFFFAOYSA-N
XLogP1.35
TPSA115.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 58731980
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
2-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477455
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 162774199
5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167177003
4-[4-(3,5-diphenylphenyl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 160990529
8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 162778163
1,4,5,8-tetraphenyl-2,6-naphthyridine
CID 13154164
5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 62900567
4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
CID 130210705

Frequently Asked Questions

What is the IUPAC name of perchloric acid;2,4,5-triphenylpyrimidine?
The IUPAC name of perchloric acid;2,4,5-triphenylpyrimidine (CID 159862899) is perchloric acid;2,4,5-triphenylpyrimidine.
What is the SMILES notation for perchloric acid;2,4,5-triphenylpyrimidine?
The canonical SMILES for perchloric acid;2,4,5-triphenylpyrimidine is [O-][Cl+3]([O-])([O-])O.c1ccc(-c2ncc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of perchloric acid;2,4,5-triphenylpyrimidine?
The InChIKey is NRJIIWJPPYSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2.ClHO4/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)24-21(20)18-12-6-2-7-13-18;2-1(3,4)5/h1-16H;(H,2,3,4,5).
What are the key properties of perchloric acid;2,4,5-triphenylpyrimidine?
perchloric acid;2,4,5-triphenylpyrimidine has a molecular weight of 408.84 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;2,4,5-triphenylpyrimidine is sourced from PubChem (CID 159862899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).