4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine

C26H20N2O — CID 166654648

IUPAC4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine
SMILESC/C=C(\C)c1cc(-c2ccccc2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C26H20N2O/c1-3-17(2)22-16-23(18-9-5-4-6-10-18)28-26(27-22)19-13-14-25-21(15-19)20-11-7-8-12-24(20)29-25/h3-16H,1-2H3/b17-3+
InChIKeyZNDJCJXMZDSLBC-IJUHEHPCSA-N
MW376.46 g/mol
LogP7.13
Rot. Bonds3

About 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine

4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine (PubChem CID 166654648) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine
PubChem CID166654648
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine
SMILESC/C=C(\C)c1cc(-c2ccccc2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C26H20N2O/c1-3-17(2)22-16-23(18-9-5-4-6-10-18)28-26(27-22)19-13-14-25-21(15-19)20-11-7-8-12-24(20)29-25/h3-16H,1-2H3/b17-3+
InChIKeyZNDJCJXMZDSLBC-IJUHEHPCSA-N
XLogP7.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine
CID 174327712
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine
CID 148581506
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
4-but-2-en-2-yl-6-[4-[4-(6-hexa-1,3,5-trien-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 123919872
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-2,6-diphenylpyrimidine
CID 153121371
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine (CID 166654648) is 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine is C/C=C(\C)c1cc(-c2ccccc2)nc(-c2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine?
The InChIKey is ZNDJCJXMZDSLBC-IJUHEHPCSA-N. The full InChI is InChI=1S/C26H20N2O/c1-3-17(2)22-16-23(18-9-5-4-6-10-18)28-26(27-22)19-13-14-25-21(15-19)20-11-7-8-12-24(20)29-25/h3-16H,1-2H3/b17-3+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine?
4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine has a molecular weight of 376.46 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-2-dibenzofuran-2-yl-6-phenylpyrimidine is sourced from PubChem (CID 166654648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).