2,4-di(dibenzofuran-2-yl)pyrimidine

C28H16N2O2 — CID 121340967

IUPAC2,4-di(dibenzofuran-2-yl)pyrimidine
SMILESc1ccc2c(c1)oc1ccc(-c3ccnc(-c4ccc5oc6ccccc6c5c4)n3)cc12
InChIInChI=1S/C28H16N2O2/c1-3-7-24-19(5-1)21-15-17(9-11-26(21)31-24)23-13-14-29-28(30-23)18-10-12-27-22(16-18)20-6-2-4-8-25(20)32-27/h1-16H
InChIKeyWMXMRYZCEYIECL-UHFFFAOYSA-N
MW412.45 g/mol
LogP7.61
Rot. Bonds2

About 2,4-di(dibenzofuran-2-yl)pyrimidine

2,4-di(dibenzofuran-2-yl)pyrimidine (PubChem CID 121340967) has the molecular formula C28H16N2O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-2-yl)pyrimidine
PubChem CID121340967
Molecular FormulaC28H16N2O2
Molecular Weight412.45 g/mol
Exact Mass412.12
IUPAC Name2,4-di(dibenzofuran-2-yl)pyrimidine
SMILESc1ccc2c(c1)oc1ccc(-c3ccnc(-c4ccc5oc6ccccc6c5c4)n3)cc12
InChIInChI=1S/C28H16N2O2/c1-3-7-24-19(5-1)21-15-17(9-11-26(21)31-24)23-13-14-29-28(30-23)18-10-12-27-22(16-18)20-6-2-4-8-25(20)32-27/h1-16H
InChIKeyWMXMRYZCEYIECL-UHFFFAOYSA-N
XLogP7.61
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
2,9-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050213
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
2-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056233
5,10-di(dibenzofuran-2-yl)-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene
CID 139484260
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262632
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134410345
2,4-di(chrysen-3-yl)-6-dibenzofuran-2-yl-1,3,5-triazine
CID 158404878
4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-2-yl)pyrimidine?
The IUPAC name of 2,4-di(dibenzofuran-2-yl)pyrimidine (CID 121340967) is 2,4-di(dibenzofuran-2-yl)pyrimidine.
What is the SMILES notation for 2,4-di(dibenzofuran-2-yl)pyrimidine?
The canonical SMILES for 2,4-di(dibenzofuran-2-yl)pyrimidine is c1ccc2c(c1)oc1ccc(-c3ccnc(-c4ccc5oc6ccccc6c5c4)n3)cc12.
What is the InChIKey of 2,4-di(dibenzofuran-2-yl)pyrimidine?
The InChIKey is WMXMRYZCEYIECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2O2/c1-3-7-24-19(5-1)21-15-17(9-11-26(21)31-24)23-13-14-29-28(30-23)18-10-12-27-22(16-18)20-6-2-4-8-25(20)32-27/h1-16H.
What are the key properties of 2,4-di(dibenzofuran-2-yl)pyrimidine?
2,4-di(dibenzofuran-2-yl)pyrimidine has a molecular weight of 412.45 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-2-yl)pyrimidine is sourced from PubChem (CID 121340967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).