7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole

C39H23N3OSe — CID 168739820

IUPAC7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2cc(-c3cccc4oc5ccccc5c34)nc(-c3ccc4c(ccc5nc(-c6ccccc6)[se]c54)c3)n2)cc1
InChIInChI=1S/C39H23N3OSe/c1-3-10-24(11-4-1)32-23-33(29-15-9-17-35-36(29)30-14-7-8-16-34(30)43-35)41-38(40-32)27-18-20-28-26(22-27)19-21-31-37(28)44-39(42-31)25-12-5-2-6-13-25/h1-23H
InChIKeyIBFPUWLSIGJJEI-UHFFFAOYSA-N
MW628.59 g/mol
LogP9.80
Rot. Bonds4

About 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole

7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole (PubChem CID 168739820) has the molecular formula C39H23N3OSe and a molecular weight of 628.59 g/mol. Its IUPAC name is 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole.

Molecular Properties

Compound Name7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
PubChem CID168739820
Molecular FormulaC39H23N3OSe
Molecular Weight628.59 g/mol
Exact Mass629.10
IUPAC Name7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2cc(-c3cccc4oc5ccccc5c34)nc(-c3ccc4c(ccc5nc(-c6ccccc6)[se]c54)c3)n2)cc1
InChIInChI=1S/C39H23N3OSe/c1-3-10-24(11-4-1)32-23-33(29-15-9-17-35-36(29)30-14-7-8-16-34(30)43-35)41-38(40-32)27-18-20-28-26(22-27)19-21-31-37(28)44-39(42-31)25-12-5-2-6-13-25/h1-23H
InChIKeyIBFPUWLSIGJJEI-UHFFFAOYSA-N
XLogP9.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.59
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168739874
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
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(8-phenanthren-1-yldibenzofuran-1-yl)-2,6-diphenylpyrimidine
CID 142515691
4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine
CID 174327806
4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 121460845
4-dibenzofuran-1-yl-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 147940366
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
CID 139304383
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
4-(4-dibenzofuran-1-ylphenyl)-6-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-2-phenylpyrimidine
CID 167412953

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The IUPAC name of 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole (CID 168739820) is 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole.
What is the SMILES notation for 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The canonical SMILES for 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole is c1ccc(-c2cc(-c3cccc4oc5ccccc5c34)nc(-c3ccc4c(ccc5nc(-c6ccccc6)[se]c54)c3)n2)cc1.
What is the InChIKey of 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The InChIKey is IBFPUWLSIGJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3OSe/c1-3-10-24(11-4-1)32-23-33(29-15-9-17-35-36(29)30-14-7-8-16-34(30)43-35)41-38(40-32)27-18-20-28-26(22-27)19-21-31-37(28)44-39(42-31)25-12-5-2-6-13-25/h1-23H.
What are the key properties of 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole has a molecular weight of 628.59 g/mol, XLogP of 9.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole is sourced from PubChem (CID 168739820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).