4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine

C40H24N2O2 — CID 149203141

IUPAC4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine
SMILESc1ccc2oc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2c1
InChIInChI=1S/C40H24N2O2/c1-3-11-30-25(8-1)10-7-13-31(30)26-16-18-27(19-17-26)34-24-35(39-22-28-9-2-5-14-36(28)43-39)42-40(41-34)29-20-21-33-32-12-4-6-15-37(32)44-38(33)23-29/h1-24H
InChIKeyXFBXEQLMJWWLSY-UHFFFAOYSA-N
MW564.64 g/mol
LogP10.94
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine

4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine (PubChem CID 149203141) has the molecular formula C40H24N2O2 and a molecular weight of 564.64 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine
PubChem CID149203141
Molecular FormulaC40H24N2O2
Molecular Weight564.64 g/mol
Exact Mass564.18
IUPAC Name4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine
SMILESc1ccc2oc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2c1
InChIInChI=1S/C40H24N2O2/c1-3-11-30-25(8-1)10-7-13-31(30)26-16-18-27(19-17-26)34-24-35(39-22-28-9-2-5-14-36(28)43-39)42-40(41-34)29-20-21-33-32-12-4-6-15-37(32)44-38(33)23-29/h1-24H
InChIKeyXFBXEQLMJWWLSY-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-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine
CID 146183135
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613651
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547
2-[3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613821
4-[3-dibenzofuran-3-yl-5-(2-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583522
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
[4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569935
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171584084
[8-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-3-yl]phosphane
CID 166509862
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine
CID 157458923

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine (CID 149203141) is 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine is c1ccc2oc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The InChIKey is XFBXEQLMJWWLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O2/c1-3-11-30-25(8-1)10-7-13-31(30)26-16-18-27(19-17-26)34-24-35(39-22-28-9-2-5-14-36(28)43-39)42-40(41-34)29-20-21-33-32-12-4-6-15-37(32)44-38(33)23-29/h1-24H.
What are the key properties of 4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine?
4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine 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-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine is sourced from PubChem (CID 149203141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).