2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine

C23H18N2O — CID 102598819

IUPAC2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
SMILESCOc1ccc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C23H18N2O/c1-26-21-12-10-17(11-13-21)19-8-5-9-20(16-19)23-24-15-14-22(25-23)18-6-3-2-4-7-18/h2-16H,1H3
InChIKeyUXZJCCRIFINVIW-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.49
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine

2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine (PubChem CID 102598819) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
PubChem CID102598819
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
SMILESCOc1ccc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C23H18N2O/c1-26-21-12-10-17(11-13-21)19-8-5-9-20(16-19)23-24-15-14-22(25-23)18-6-3-2-4-7-18/h2-16H,1H3
InChIKeyUXZJCCRIFINVIW-UHFFFAOYSA-N
XLogP5.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methoxy-4-pyridinyl)phenyl]-4-phenylpyrimidine
CID 134837723
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
2,4-diphenylpyrimidine;yttrium
CID 59738567
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-1,3,5-triazine
CID 159229968
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 86064133

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine?
The IUPAC name of 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine (CID 102598819) is 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine?
The canonical SMILES for 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine is COc1ccc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine?
The InChIKey is UXZJCCRIFINVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-26-21-12-10-17(11-13-21)19-8-5-9-20(16-19)23-24-15-14-22(25-23)18-6-3-2-4-7-18/h2-16H,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine?
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine has a molecular weight of 338.41 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine is sourced from PubChem (CID 102598819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).