2,4-diphenylpyrimidine;yttrium

C16H12N2Y — CID 59738567

IUPAC2,4-diphenylpyrimidine;yttrium
SMILES[Y].c1ccc(-c2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12N2.Y/c1-3-7-13(8-4-1)15-11-12-17-16(18-15)14-9-5-2-6-10-14;/h1-12H;
InChIKeyJJJGFCDYESFGDL-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.81
Rot. Bonds2

About 2,4-diphenylpyrimidine;yttrium

2,4-diphenylpyrimidine;yttrium (PubChem CID 59738567) has the molecular formula C16H12N2Y and a molecular weight of 321.19 g/mol. Its IUPAC name is 2,4-diphenylpyrimidine;yttrium.

Molecular Properties

Compound Name2,4-diphenylpyrimidine;yttrium
PubChem CID59738567
Molecular FormulaC16H12N2Y
Molecular Weight321.19 g/mol
Exact Mass321.01
IUPAC Name2,4-diphenylpyrimidine;yttrium
SMILES[Y].c1ccc(-c2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12N2.Y/c1-3-7-13(8-4-1)15-11-12-17-16(18-15)14-9-5-2-6-10-14;/h1-12H;
InChIKeyJJJGFCDYESFGDL-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;triphenylene
CID 175536318
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
CID 82021904
4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
CID 16637811
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
4-(2,6-dimethylphenyl)-2-phenylpyrimidine
CID 151282962
4-phenylpyrimidine-2-thiolate
CID 143883360
2-phenylpyrimidine
CID 593578

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylpyrimidine;yttrium?
The IUPAC name of 2,4-diphenylpyrimidine;yttrium (CID 59738567) is 2,4-diphenylpyrimidine;yttrium.
What is the SMILES notation for 2,4-diphenylpyrimidine;yttrium?
The canonical SMILES for 2,4-diphenylpyrimidine;yttrium is [Y].c1ccc(-c2ccnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenylpyrimidine;yttrium?
The InChIKey is JJJGFCDYESFGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.Y/c1-3-7-13(8-4-1)15-11-12-17-16(18-15)14-9-5-2-6-10-14;/h1-12H;.
What are the key properties of 2,4-diphenylpyrimidine;yttrium?
2,4-diphenylpyrimidine;yttrium has a molecular weight of 321.19 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylpyrimidine;yttrium is sourced from PubChem (CID 59738567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).