2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine

C27H20N2O — CID 145261507

IUPAC2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine
SMILESC=Cc1cccc(-c2ccc(-c3nc(C)c4c(n3)oc3ccccc34)cc2)c1C=C
InChIInChI=1S/C27H20N2O/c1-4-18-9-8-11-22(21(18)5-2)19-13-15-20(16-14-19)26-28-17(3)25-23-10-6-7-12-24(23)30-27(25)29-26/h4-16H,1-2H2,3H3
InChIKeyRFWBJNYZYNZLOG-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.30
Rot. Bonds4

About 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine

2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 145261507) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID145261507
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine
SMILESC=Cc1cccc(-c2ccc(-c3nc(C)c4c(n3)oc3ccccc34)cc2)c1C=C
InChIInChI=1S/C27H20N2O/c1-4-18-9-8-11-22(21(18)5-2)19-13-15-20(16-14-19)26-28-17(3)25-23-10-6-7-12-24(23)30-27(25)29-26/h4-16H,1-2H2,3H3
InChIKeyRFWBJNYZYNZLOG-UHFFFAOYSA-N
XLogP7.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 130265836
2-tert-butyl-4-methyl-[1]benzofuro[2,3-d]pyrimidine
CID 130259284
2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489906
2-phenyl-4-[2-[2-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489892
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
2-(4-phenylphenyl)-4-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158409214
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine (CID 145261507) is 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine is C=Cc1cccc(-c2ccc(-c3nc(C)c4c(n3)oc3ccccc34)cc2)c1C=C.
What is the InChIKey of 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is RFWBJNYZYNZLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c1-4-18-9-8-11-22(21(18)5-2)19-13-15-20(16-14-19)26-28-17(3)25-23-10-6-7-12-24(23)30-27(25)29-26/h4-16H,1-2H2,3H3.
What are the key properties of 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine?
2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 388.47 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,3-bis(ethenyl)phenyl]phenyl]-4-methyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 145261507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).