2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine

C52H34N2O — CID 153316090

IUPAC2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)cc1
InChIInChI=1S/C52H34N2O/c1-5-15-35(16-6-1)40-27-41(36-17-7-2-8-18-36)30-44(29-40)48-34-49(54-52(53-48)39-25-26-51-47(33-39)46-23-13-14-24-50(46)55-51)45-31-42(37-19-9-3-10-20-37)28-43(32-45)38-21-11-4-12-22-38/h1-34H
InChIKeyJRRVHUGMYSEZTE-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.05
Rot. Bonds7

About 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine

2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine (PubChem CID 153316090) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
PubChem CID153316090
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)cc1
InChIInChI=1S/C52H34N2O/c1-5-15-35(16-6-1)40-27-41(36-17-7-2-8-18-36)30-44(29-40)48-34-49(54-52(53-48)39-25-26-51-47(33-39)46-23-13-14-24-50(46)55-51)45-31-42(37-19-9-3-10-20-37)28-43(32-45)38-21-11-4-12-22-38/h1-34H
InChIKeyJRRVHUGMYSEZTE-UHFFFAOYSA-N
XLogP14.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
CID 171585229
4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 147753692

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine (CID 153316090) is 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine?
The InChIKey is JRRVHUGMYSEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-5-15-35(16-6-1)40-27-41(36-17-7-2-8-18-36)30-44(29-40)48-34-49(54-52(53-48)39-25-26-51-47(33-39)46-23-13-14-24-50(46)55-51)45-31-42(37-19-9-3-10-20-37)28-43(32-45)38-21-11-4-12-22-38/h1-34H.
What are the key properties of 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine?
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine has a molecular weight of 702.86 g/mol, XLogP of 14.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine is sourced from PubChem (CID 153316090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).