2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine

C25H21FN2O — CID 2767763

IUPAC2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine
SMILESFCCCOc1ccc(-c2nccc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H21FN2O/c26-16-4-18-29-23-13-11-22(12-14-23)25-27-17-15-24(28-25)21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-15,17H,4,16,18H2
InChIKeyLUXCLVMHRGPIBF-UHFFFAOYSA-N
MW384.45 g/mol
LogP6.22
Rot. Bonds7

About 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine

2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine (PubChem CID 2767763) has the molecular formula C25H21FN2O and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine
PubChem CID2767763
Molecular FormulaC25H21FN2O
Molecular Weight384.45 g/mol
Exact Mass384.16
IUPAC Name2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine
SMILESFCCCOc1ccc(-c2nccc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H21FN2O/c26-16-4-18-29-23-13-11-22(12-14-23)25-27-17-15-24(28-25)21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-15,17H,4,16,18H2
InChIKeyLUXCLVMHRGPIBF-UHFFFAOYSA-N
XLogP6.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;yttrium
CID 59738567
[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
CID 82021904
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
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-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine (CID 2767763) is 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine is FCCCOc1ccc(-c2nccc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine?
The InChIKey is LUXCLVMHRGPIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O/c26-16-4-18-29-23-13-11-22(12-14-23)25-27-17-15-24(28-25)21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-15,17H,4,16,18H2.
What are the key properties of 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine?
2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine has a molecular weight of 384.45 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 2767763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).