4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine

C40H24N2O2 — CID 166952428

IUPAC4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4oc5c(-c6cccc7oc8ccccc8c67)cccc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H24N2O2/c1-3-11-25(12-4-1)33-24-34(42-40(41-33)26-13-5-2-6-14-26)27-21-22-36-32(23-27)30-18-9-17-29(39(30)44-36)28-16-10-20-37-38(28)31-15-7-8-19-35(31)43-37/h1-24H
InChIKeyVWBRFWVTUDPGBB-UHFFFAOYSA-N
MW564.64 g/mol
LogP10.94
Rot. Bonds4

About 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine

4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine (PubChem CID 166952428) has the molecular formula C40H24N2O2 and a molecular weight of 564.64 g/mol. Its IUPAC name is 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine
PubChem CID166952428
Molecular FormulaC40H24N2O2
Molecular Weight564.64 g/mol
Exact Mass564.18
IUPAC Name4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4oc5c(-c6cccc7oc8ccccc8c67)cccc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H24N2O2/c1-3-11-25(12-4-1)33-24-34(42-40(41-33)26-13-5-2-6-14-26)27-21-22-36-32(23-27)30-18-9-17-29(39(30)44-36)28-16-10-20-37-38(28)31-15-7-8-19-35(31)43-37/h1-24H
InChIKeyVWBRFWVTUDPGBB-UHFFFAOYSA-N
XLogP10.94
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine
CID 159208053
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
4-(4-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4,6-di(dibenzofuran-3-yl)-2-phenylpyrimidine;4,6-di(dibenzofuran-4-yl)-2-phenylpyrimidine;2,4,6-tri(dibenzofuran-1-yl)pyrimidine;2,4,6-tri(dibenzofuran-2-yl)pyrimidine;2,4,6-tri(dibenzofuran-3-yl)pyrimidine;2,4,6-tri(dibenzofuran-4-yl)pyrimidine
CID 159391384
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 164835215
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 159089395

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine (CID 166952428) is 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc4oc5c(-c6cccc7oc8ccccc8c67)cccc5c4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine?
The InChIKey is VWBRFWVTUDPGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O2/c1-3-11-25(12-4-1)33-24-34(42-40(41-33)26-13-5-2-6-14-26)27-21-22-36-32(23-27)30-18-9-17-29(39(30)44-36)28-16-10-20-37-38(28)31-15-7-8-19-35(31)43-37/h1-24H.
What are the key properties of 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine?
4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine has a molecular weight of 564.64 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 166952428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).