2-[2-(2-phenylethenyl)phenyl]pyrimidine

C18H14N2 — CID 141475746

IUPAC2-[2-(2-phenylethenyl)phenyl]pyrimidine
SMILESC(=Cc1ccccc1-c1ncccn1)c1ccccc1
InChIInChI=1S/C18H14N2/c1-2-7-15(8-3-1)11-12-16-9-4-5-10-17(16)18-19-13-6-14-20-18/h1-14H
InChIKeyMRORFCDVBYUIRZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.31
Rot. Bonds3

About 2-[2-(2-phenylethenyl)phenyl]pyrimidine

2-[2-(2-phenylethenyl)phenyl]pyrimidine (PubChem CID 141475746) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(2-phenylethenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(2-phenylethenyl)phenyl]pyrimidine
PubChem CID141475746
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name2-[2-(2-phenylethenyl)phenyl]pyrimidine
SMILESC(=Cc1ccccc1-c1ncccn1)c1ccccc1
InChIInChI=1S/C18H14N2/c1-2-7-15(8-3-1)11-12-16-9-4-5-10-17(16)18-19-13-6-14-20-18/h1-14H
InChIKeyMRORFCDVBYUIRZ-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-phenylethenyl)phenyl]pyridine
CID 67528933
1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one
CID 175171565
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 102597528
4-methyl-2-[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 132600273
4-[2-(2-phenylphenyl)ethenyl]pyridine
CID 141095127
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
CID 174914865
3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
CID 23061534
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
CID 11167038

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethenyl)phenyl]pyrimidine?
The IUPAC name of 2-[2-(2-phenylethenyl)phenyl]pyrimidine (CID 141475746) is 2-[2-(2-phenylethenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[2-(2-phenylethenyl)phenyl]pyrimidine?
The canonical SMILES for 2-[2-(2-phenylethenyl)phenyl]pyrimidine is C(=Cc1ccccc1-c1ncccn1)c1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethenyl)phenyl]pyrimidine?
The InChIKey is MRORFCDVBYUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-7-15(8-3-1)11-12-16-9-4-5-10-17(16)18-19-13-6-14-20-18/h1-14H.
What are the key properties of 2-[2-(2-phenylethenyl)phenyl]pyrimidine?
2-[2-(2-phenylethenyl)phenyl]pyrimidine has a molecular weight of 258.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethenyl)phenyl]pyrimidine is sourced from PubChem (CID 141475746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).