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

C44H26N2O2 — CID 174327806

IUPAC4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4ccc5ccccc5c4)n3)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C44H26N2O2/c1-2-11-27(12-3-1)31-24-35(43-34-16-7-9-19-39(34)48-41(43)25-31)37-26-36(32-17-10-20-40-42(32)33-15-6-8-18-38(33)47-40)45-44(46-37)30-22-21-28-13-4-5-14-29(28)23-30/h1-26H
InChIKeyDPICWSHRAKBBOA-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.10
Rot. Bonds4

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

4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine (PubChem CID 174327806) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine
PubChem CID174327806
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4ccc5ccccc5c4)n3)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C44H26N2O2/c1-2-11-27(12-3-1)31-24-35(43-34-16-7-9-19-39(34)48-41(43)25-31)37-26-36(32-17-10-20-40-42(32)33-15-6-8-18-38(33)47-40)45-44(46-37)30-22-21-28-13-4-5-14-29(28)23-30/h1-26H
InChIKeyDPICWSHRAKBBOA-UHFFFAOYSA-N
XLogP12.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742910
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
CID 167402692
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine
CID 174328148
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine?
The IUPAC name of 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine (CID 174327806) is 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine is c1ccc(-c2cc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4ccc5ccccc5c4)n3)c3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine?
The InChIKey is DPICWSHRAKBBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-2-11-27(12-3-1)31-24-35(43-34-16-7-9-19-39(34)48-41(43)25-31)37-26-36(32-17-10-20-40-42(32)33-15-6-8-18-38(33)47-40)45-44(46-37)30-22-21-28-13-4-5-14-29(28)23-30/h1-26H.
What are the key properties of 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine?
4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine has a molecular weight of 614.70 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine is sourced from PubChem (CID 174327806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).